SCHEMBL803661

SCHEMBL803661

CNC1CCN(c2cc(C)nc(C)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.54
HRH3 Q9Y5N1 2/20 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
SCHEMBL803613 0.80 HRH4 (0.56) HRH4
Hydrochloric Acid SCHEMBL785467 0.79 HRH4 (0.54) HRH4
SCHEMBL784749 0.78 HRH4 (0.61) HRH4HRH3
SCHEMBL20255284 0.76 HRH4 (0.45) HRH4
SCHEMBL22102906 0.75 HRH4 (0.41) HRH4HRH3
SCHEMBL8728954 0.74 ADRB1 (0.50) HRH4
SCHEMBL15176417 0.74 HRH4 (0.41) HRH4
Ammonia Solution, Strong SCHEMBL27902618 0.73 CHRNB2 (0.47) HRH4
SCHEMBL784807 0.73 HRH4 (0.62) HRH4HRH3
SCHEMBL786068 0.73 HRH4 (0.56) 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 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 87/4885HRH3 173/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HRH4 5/4885HRH3 9/4885

“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.