SCHEMBL440138

SCHEMBL440138

ClC1c2ccccc2CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.54
RET P07949 1/20 0.54
ACP3 P15309 1/20 0.50
IDO1 P14902 3/20 0.45
PDPK1 O15530 1/20 0.45
PRCP P42785 3/20 0.43
CYP11B2 P19099 1/20 0.42

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
SCHEMBL29793145 1.00 HTR2A (0.54) HTR2ARETACP3IDO1PDPK1
SCHEMBL7124003 0.84 ACP3 (0.47) HTR2ARETACP3IDO1PDPK1
SCHEMBL20536825 0.83 HTR2A (0.61) HTR2A
SCHEMBL10903646 0.83 ALOX12 (0.47) HTR2ARETACP3PRCP
SCHEMBL30094172 0.82 IDO1 (0.50) HTR2ARETIDO1PDPK1CYP11B2
SCHEMBL1117278 0.82 IDO1 (0.50) HTR2ARETIDO1PDPK1CYP11B2
SCHEMBL10862776 0.82 TDP1 (0.46) HTR2ARETACP3
SCHEMBL10905385 0.82 HTR2A (0.49) HTR2ARETACP3
SCHEMBL11549403 0.82 HTR2A (0.40) HTR2ARETACP3IDO1PDPK1
SCHEMBL30171215 0.81 HTR2A (0.58) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2110380-B1 Alpha-N-methylation of amino acids HOFFMANN LA ROCHE (CH) 2010-11-10 EP claimed
EP-2110380-A1 Alpha-N-methylation of amino acids F. HOFFMANN-LA ROCHE AG (CH) 2009-10-21 EP claimed
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2024-06-06 US disclosed
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PEPTIDREAM INC. (JP) 2024-01-11 US disclosed
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PEPTIDREAM INC. (JP) 2024-01-11 US disclosed
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PEPTIDREAM INC. (JP) 2024-01-11 US disclosed
EP-4276096-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PeptiDream Inc. (JP) 2023-11-15 EP disclosed
WO-2022149610-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME ペプチドリーム株式会社 2022-07-14 WO disclosed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
EP-0010398-B1 ISATIN DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-27 EP disclosed
EP-0056617-A2 Cycloheptene derivatives, process and intermediates for their preparation, and pharmceuticals containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-07-28 EP disclosed
US-4243808-A ANTIDEPRESSANTS; CENTRAL NERVOUS SYSTEM ACTIVITY JOHN WYETH & BROTHER LIMITED (GB) 1981-01-06 US disclosed
EP-0010398-A1 Isatin derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-30 EP disclosed
US-4180670-A Amino pyridine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1979-12-25 US disclosed
US-4048223-A 3-Dimethylsulfamoyl-5-[amino(alkyl or alkylidene)]-5H-dibenzo [a,d]cycloheptenes MERCK & CO., INC. (US) 1977-09-13 US disclosed
US-3981917-A Chemical compounds MERCK & CO., INC. (US) 1976-09-21 US disclosed
US-3978121-A 5H Dibenzo[a,d]cycloheptene derivatives MERCK & CO., INC. (US) 1976-08-31 US disclosed
US-3965181-A Tricyclic pharmacological agents, intermediates and methods of making SYNTEX (U.S.A.) INC. (US) 1976-06-22 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 (5 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-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTR2A 3244/4885RET 2798/4885ACP3 773/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTR2A 3244/4885RET 2798/4885ACP3 773/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 HTR2A 3231/4885RET 2683/4885ACP3 782/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 HTR2A 3244/4885RET 2798/4885ACP3 773/4885
US-20240010627-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME GMPS, MAPT, UROD HTR2A 2165/4885RET 1037/4885ACP3 1332/4885

“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.