SCHEMBL3320692

SCHEMBL3320692

CC1CN(CCNc2ccc3cnccc3n2)CCN1CCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
HTR1A P08908 3/20 0.39
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ACHE P22303 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL3634836 0.81 SIGMAR1 (0.45) SIGMAR1HTR1AOPRM1
SCHEMBL3630106 0.75 SLC6A2 (0.54) SIGMAR1
SCHEMBL3320690 0.73 SIGMAR1 (0.47) SIGMAR1HTR1AALDH1A1ACHE
SCHEMBL14645859 0.71 SIGMAR1 (0.68) SIGMAR1ALDH1A1
SCHEMBL3322228 0.68 ACHE (0.47) SIGMAR1HTR1AALDH1A1ACHE
SCHEMBL3320215 0.65 CARM1 (0.48) SIGMAR1ACHE
SCHEMBL3319966 0.64 ACHE (0.48) SIGMAR1HTR1AALDH1A1ACHE
SCHEMBL3322192 0.63 CARM1 (0.56) ACHE
SCHEMBL9849674 0.62 GBA1 (0.49)
SCHEMBL9849453 0.61 GBA1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US claimed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 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 (1 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-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 SIGMAR1 651/4885HTR1A 877/4885OPRM1 226/4885

“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.