SCHEMBL19086059

SCHEMBL19086059

CC(C)c1cn(CCO)nn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.37
MAPT P10636 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMPD1 P17405 4/20 0.33
CSNK1D P48730 1/20 0.33
MAPK14 Q16539 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
EGLN2 Q96KS0 1/20 0.32
GBA1 P04062 2/20 0.31
GPR88 Q9GZN0 1/20 0.31

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
SCHEMBL23957806 0.84 EGLN2 (0.33) NTRK1HRH4HRH3EGLN2GPR88
SCHEMBL13453642 0.82 SMPD1 (0.41) HRH4HRH3SMPD1GBA1
SCHEMBL19400545 0.82 HRH4 (0.35) HRH4HRH3SMPD1IRAK4GBA1
SCHEMBL26763404 0.81 HRH4 (0.35) NTRK1HRH4HRH3
SCHEMBL18089449 0.81 HRH4 (0.35) HRH4HRH3SMPD1IRAK4
SCHEMBL12364362 0.81 HRH4 (0.35) NTRK1HRH4HRH3
SCHEMBL19120293 0.80 NTRK1 (0.42) NTRK1MEN1KMT2AMAPK14
SCHEMBL25715688 0.79 SMPD1 (0.42) HRH4HRH3SMPD1GBA1
SCHEMBL12364369 0.78 HRH4 (0.37) HRH4HRH3SMPD1IRAK4
SCHEMBL21534048 0.78 HRH4 (0.33) HRH4HRH3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174520-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
US-20210179592-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2021-06-17 US disclosed
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives GRUENENTHAL GMBH (DE) 2020-11-10 US disclosed
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
US-20180193338-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9839639-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 US disclosed
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20170189399-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-07-06 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 (9 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS NTRK1 1824/4885MAPT 4689/4885HRH4 2806/4885
US-20230174520-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 NTRK1 586/4885MAPT 3577/4885HRH4 1243/4885
US-20210179592-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, ARRB1 NTRK1 586/4885MAPT 3577/4885HRH4 1243/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS NTRK1 1824/4885MAPT 4689/4885HRH4 2806/4885
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 NTRK1 586/4885MAPT 3577/4885HRH4 1243/4885
US-20180193338-A1 NEPRILYSIN INHIBITORS MME, REN, ACE NTRK1 467/4885MAPT 443/4885HRH4 349/4885
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX NTRK1 4611/4885MAPT 3741/4885HRH4 3482/4885
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives OPRD1, OPRK1, OPRL1 NTRK1 562/4885MAPT 3713/4885HRH4 1353/4885
US-20170189399-A1 NEPRILYSIN INHIBITORS MME, REN, ACE NTRK1 467/4885MAPT 443/4885HRH4 349/4885

“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.