SCHEMBL720497

SCHEMBL720497

ClC(c1cc2ccccc2s1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.42
OPRM1 P35372 1/20 0.42
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL718693 0.81 HSD17B2 (0.46) SIGMAR1OPRM1SLC6A2
SCHEMBL14905661 0.77 CSNK1D (0.36) MEN1KMT2A
SCHEMBL14905704 0.77 CSNK1D (0.38) MEN1CYP2D6KMT2A
SCHEMBL2161082 0.74 ALOX5 (0.51) SLC6A3SLC6A2SLC6A4
SCHEMBL903801 0.74 ALOX5 (0.46)
SCHEMBL7356484 0.72 HSD17B2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL139543 0.71 ALOX5 (0.55) SIGMAR1
SCHEMBL28657389 0.71 ALOX5 (0.55) SIGMAR1
SCHEMBL30238692 0.71 ALOX5 (0.55) SIGMAR1
SCHEMBL28235218 0.68 ALOX5 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SIGMAR1 4693/4885OPRM1 4546/4885SLC6A3 1248/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SIGMAR1 4693/4885OPRM1 4546/4885SLC6A3 1248/4885

“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.