SCHEMBL3095337

SCHEMBL3095337

Cc1oc(-c2ccc(F)cn2)cc1C(Cl)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MMP13 P45452 2/20 0.34
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.33
GRIA2 P42262 2/20 0.32
GRM5 P41594 2/20 0.31
SMO Q99835 1/20 0.31
HMGCR P04035 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
P2RX7 Q99572 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
SCHEMBL3109150 0.86 SCD (0.35) CYP1A1CYP1B1MMP13SCDSCD5
SCHEMBL3106990 0.85 NPSR1 (0.36) MMP13SMO
SCHEMBL3099728 0.84 MMP13 (0.41) MMP13SCDSCD5HMGCRP2RX7
SCHEMBL3095575 0.82 NPC1 (0.38) MMP13HMGCR
Hydrochloric Acid SCHEMBL3098547 0.80 GPR39 (0.39) CYP1A1CYP1B1
SCHEMBL3102390 0.80 OPRK1 (0.35) HMGCR
SCHEMBL3100993 0.79 HRH3 (0.38) GRIA2HMGCR
SCHEMBL3112727 0.79 ACKR3 (0.36)
SCHEMBL3101573 0.79 OPRL1 (0.33) HMGCROPRL1
SCHEMBL3106612 0.76 HRH3 (0.33) GRIA2HMGCROPRL1

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 CYP1A1 839/4885CYP1B1 946/4885MMP13 3966/4885

“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.