SCHEMBL803602

SCHEMBL803602

CCCCC(C)N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.39
MC4R P32245 3/20 0.34
USP2 O75604 1/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
MCL1 Q07820 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR1A P08908 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL3589255 0.94 KDM2B (0.39) KDM2BMC4RKDM4ETSHRMCL1
SCHEMBL19481207 0.92 GNAI3 (0.38) KDM2BGNAI3GNAO1GNAI1OPRM1
SCHEMBL19101360 0.92 GNAI3 (0.38) KDM2BGNAI3GNAO1GNAI1OPRM1
SCHEMBL28122630 0.91
SCHEMBL21499827 0.87 KDM2B (0.36) KDM2BMC4RUSP2KDM4EGNAI3
SCHEMBL13881902 0.86 MC4R (0.36) MC4RKDM4ETSHRMCL1MEN1
SCHEMBL20283927 0.85 KDM2B (0.35) KDM2BUSP2KDM4EGNAI3GNAO1
SCHEMBL9070252 0.84 OPRM1 (0.44) KDM2BKDM4ETSHRMCL1MEN1
SCHEMBL20094630 0.82 TSHR (0.38) TSHRGNAI3GNAO1GNAI1MEN1
SCHEMBL11870424 0.82 OPRM1 (0.42) KDM2BTSHROPRM1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3242875-B1 4,5-DIHYDROIMIDAZOLE DERIVATIVES AND THEIR USE AS HISTONE DEMETHYLASE (KDM2B) INHIBITORS GENENTECH INC (US) 2022-02-23 EP disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN 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 (2 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN KDM2B 821/4885MC4R 3945/4885USP2 4464/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KDM2B 1011/4885MC4R 762/4885USP2 4270/4885

“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.