SCHEMBL3099728

SCHEMBL3099728

COc1ccc(-c2cc(C(Cl)C3CCCCC3)c(C)o2)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.41
SCD O00767 3/20 0.36
SCD5 Q86SK9 3/20 0.36
MMP2 P08253 1/20 0.35
PTGER4 P35408 1/20 0.34
APP P05067 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HMGCR P04035 1/20 0.32
HPGDS O60760 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL3094573 0.88 MMP13 (0.43) MMP13SCDSCD5MMP2PTGER4
SCHEMBL3095337 0.84 CYP1A1 (0.36) MMP13SCDSCD5HMGCRP2RX7
SCHEMBL3106990 0.81 NPSR1 (0.36) MMP13
SCHEMBL3101167 0.79 CHRNB2 (0.36)
Hydrochloric Acid SCHEMBL3098547 0.78 GPR39 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3102390 0.78 OPRK1 (0.35) HMGCR
SCHEMBL3089858 0.78 HRH3 (0.39)
SCHEMBL3106851 0.76 RCE1 (0.45) MMP13SCDSCD5MMP2PTGER4
SCHEMBL3106612 0.74 HRH3 (0.33) HMGCR
SCHEMBL3109150 0.73 SCD (0.35) MMP13SCDSCD5NPC1RAB9A

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 MMP13 3966/4885SCD 4815/4885SCD5 4694/4885

“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.