SCHEMBL5568893

SCHEMBL5568893

CN(C)C1(Cc2cccc(F)c2)CCC(N)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
OPRL1 P41146 3/20 0.42
OPRM1 P35372 2/20 0.42
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KDM1A O60341 2/20 0.40
OPRK1 P41145 1/20 0.39
CCNT1 O60563 1/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL5572222 0.84 SSTR4 (0.41) TAAR1OPRL1OPRM1SLC6A3SLC6A2
SCHEMBL208130 0.83 AOC3 (0.44) TAAR1OPRL1OPRM1SLC6A3SLC6A2
SCHEMBL5290991 0.83 KMT2A (0.43) TAAR1OPRL1OPRM1MEN1KMT2A
SCHEMBL4118593 0.82 AQP1 (0.41) TAAR1OPRL1OPRM1SLC6A3SLC6A2
SCHEMBL205961 0.82 OPRL1 (0.57) OPRL1OPRM1KDM1AOPRK1
SCHEMBL3216894 0.78 TAAR1 (0.44) TAAR1OPRL1OPRM1SLC6A3SLC6A2
SCHEMBL5392050 0.77 OPRM1 (0.51) OPRL1OPRM1OPRK1IDO1AGXT
SCHEMBL5381826 0.77 OPRM1 (0.51) OPRL1OPRM1OPRK1IDO1AGXT
SCHEMBL3218498 0.76 TAAR1 (0.42) TAAR1OPRL1OPRM1SLC6A3SLC6A2
SCHEMBL3219971 0.75 OPRL1 (0.51) TAAR1OPRL1OPRM1SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 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-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 TAAR1 2781/4885OPRL1 2457/4885OPRM1 2315/4885

“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.