SCHEMBL3101573

SCHEMBL3101573

Cc1cc(F)ccc1-c1cc(C(Cl)C2CCCCC2)c(C)o1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HMGCR P04035 1/20 0.32
IDO1 P14902 1/20 0.32
OXTR P30559 1/20 0.30
AVPR1A P37288 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL3112727 0.90 ACKR3 (0.36) NPC1RAB9A
SCHEMBL3106773 0.86 NOTUM (0.33) NPC1RAB9AHMGCRIDO1
SCHEMBL3110115 0.85 IDO1 (0.36) OPRL1HTR2AHTR2CSLC6A4NPC1
SCHEMBL3095575 0.84 NPC1 (0.38) NPC1RAB9AHMGCRPTGS2
SCHEMBL3104433 0.79 NPC1 (0.40) OPRL1NPC1RAB9A
SCHEMBL3095337 0.79 CYP1A1 (0.36) OPRL1HMGCR
SCHEMBL3100993 0.76 HRH3 (0.38) HMGCRPTGS2
SCHEMBL3109064 0.76 ACKR3 (0.38) NPC1RAB9AIDO1
SCHEMBL3107059 0.76 MAOB (0.37) NPC1RAB9A
SCHEMBL3102056 0.74 NPC1 (0.43) OPRL1NPC1RAB9A

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR OPRL1 775/4885HTR2A 1881/4885HTR2C 1145/4885

“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.