SCHEMBL803613

SCHEMBL803613

CNC1CCN(c2ccnc(C)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 0.56
LDHA P00338 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
MAPK1 P28482 1/20 0.43

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
Hydrochloric Acid SCHEMBL785467 0.98 HRH4 (0.54) HRH4LDHACARM1PRMT6PRMT8
SCHEMBL16691285 0.86 LDHA (0.47) HRH4LDHACARM1PRMT6PRMT8
SCHEMBL803311 0.84 HRH4 (0.51) HRH4
SCHEMBL803614 0.84 CARM1 (0.46) HRH4LDHACARM1PRMT6PRMT8
SCHEMBL883820 0.83 HRH4 (0.54) HRH4
Hydrochloric Acid SCHEMBL784708 0.83 HRH4 (0.50) HRH4
Hydrochloric Acid SCHEMBL784871 0.82 CARM1 (0.46) HRH4LDHACARM1PRMT6PRMT8
SCHEMBL24767206 0.82 LDHA (0.45) HRH4LDHA
SCHEMBL21186191 0.81 HRH4 (0.50) HRH4LDHA
SCHEMBL22886364 0.81 LDHA (0.44) HRH4LDHAMAPK1

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
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
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH HRH4 87/4885LDHA 3324/4885CARM1 241/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HRH4 5/4885LDHA 1564/4885CARM1 3153/4885

“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.