SCHEMBL8931357

SCHEMBL8931357

CC(C)(C)C1CCc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.42
SMYD3 Q9H7B4 1/20 0.38
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
PDPK1 O15530 1/20 0.34
SIRT2 Q8IXJ6 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PLAU P00749 1/20 0.33
MASP2 O00187 1/20 0.33
F2 P00734 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23352926 0.83 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL537513 0.81 PNMT (0.44) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL22417606 0.81 GAA (0.46) MTNR1AMAPTGAA
SCHEMBL397465 0.81 GAA (0.46) MTNR1AMAPTGAA
SCHEMBL21341740 0.77 KIF11 (0.35)
SCHEMBL30066482 0.76 PNMT (0.36) MAPT
SCHEMBL13920389 0.76 KIF11 (0.37)
SCHEMBL483233 0.75 SMYD3 (0.48) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL4130897 0.75 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12
SCHEMBL424121 0.75 MTNR1A (0.45) MTNR1ASMYD3NPC1MAPK13MAPK12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11643436-B2 Polypeptide compound, pharmaceutical composition, preparation method and application thereof CHENGDU SINTANOVO BIOTECHNOLOGY CO., LTD. (CN) 2023-05-09 US disclosed
US-11643436-B2 Polypeptide compound, pharmaceutical composition, preparation method and application thereof CHENGDU SINTANOVO BIOTECHNOLOGY CO., LTD. (CN) 2023-05-09 US disclosed
US-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2022-12-22 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20220119407-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2022-04-21 US disclosed
US-11236109-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-07-06 US disclosed
US-20210139537-A1 POLYPEPTIDE COMPOUND, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION THEREOF CHENGDU SINTANOVO BIOTECHNOLOGY CO., LTD. (CN) 2021-05-13 US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067415-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 US disclosed
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2009-06-25 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210139537-A1 POLYPEPTIDE COMPOUND, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION THEREOF OPRL1, OPRK1, OPRM1 MTNR1A 133/4885SMYD3 4767/4885NPC1 1778/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP MTNR1A 3117/4885SMYD3 1411/4885NPC1 4731/4885
US-20220119407-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB MTNR1A 2295/4885SMYD3 1008/4885NPC1 3777/4885
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 MTNR1A 248/4885SMYD3 3332/4885NPC1 709/4885
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB MTNR1A 2295/4885SMYD3 1008/4885NPC1 3777/4885
US-11643436-B2 Polypeptide compound, pharmaceutical composition, preparation method and application thereof OPRL1, OPRK1, OPRM1 MTNR1A 133/4885SMYD3 4767/4885NPC1 1778/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 MTNR1A 232/4885SMYD3 2909/4885NPC1 712/4885
US-20090163497-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 MTNR1A 292/4885SMYD3 2878/4885NPC1 680/4885
US-20220402940-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB MTNR1A 2295/4885SMYD3 1008/4885NPC1 3777/4885
US-11236109-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB MTNR1A 2295/4885SMYD3 1008/4885NPC1 3777/4885
US-11053195-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB MTNR1A 2295/4885SMYD3 1008/4885NPC1 3777/4885
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB MTNR1A 2295/4885SMYD3 1008/4885NPC1 3777/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB MTNR1A 747/4885SMYD3 4215/4885NPC1 1166/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.