SCHEMBL1335786

SCHEMBL1335786

c1cc(C2CC3CCC(C2)N3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
BRAF P15056 4/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM1A O60341 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL1335785 1.00 OPRM1 (0.39) OPRM1OPRL1BRAFDDB1CRBN
Hydrochloric Acid SCHEMBL2071433 0.98 OPRM1 (0.38) OPRM1OPRL1BRAFDDB1CRBN
SCHEMBL12533711 0.79 CYP1A2 (0.43) OPRM1OPRL1DDB1CRBNCHRM1
SCHEMBL12533718 0.79 CYP1A2 (0.43) OPRM1OPRL1DDB1CRBNCHRM1
SCHEMBL12533707 0.79 CYP1A2 (0.43) OPRM1OPRL1DDB1CRBNCHRM1
SCHEMBL12533704 0.79 CYP1A2 (0.43) OPRM1OPRL1DDB1CRBNCHRM1
SCHEMBL6227963 0.78 KDM1A (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL12093044 0.78 KDM1A (0.53) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL12093056 0.77 CYP11B2 (0.58) CHRNB2CHRNA4CHRNA7
SCHEMBL1333976 0.77 CYP11B2 (0.58) CHRNB2CHRNA4CHRNA7

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-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2046791-B1 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2010-03-24 EP disclosed
EP-2046791-A2 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Sanofi-Aventis (FR) 2009-04-15 EP disclosed
WO-2008000951-A2 UREA DERIVATIVES OF TROPANE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2008-01-03 WO 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-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD3B1, HSD11B2 OPRM1 287/4885OPRL1 1101/4885BRAF 4281/4885

“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.