SCHEMBL3104856

SCHEMBL3104856

COCc1oc(-c2ccc(F)cc2)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
AR P10275 1/20 0.41
GCGR P47871 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
POLB P06746 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36

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
SCHEMBL3112801 0.85 CYP3A4 (0.42) ARGABRPGABRDGABRA1GABRB1
SCHEMBL3111596 0.81 POLH (0.37) PDCD1CD274ESR1KDM4EALDH1A1
SCHEMBL3113419 0.78 HDAC6 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3106540 0.76 GABRP (0.41) MAOBARCYP1A1CYP1A2CYP1B1
SCHEMBL3100109 0.76 SLC6A4 (0.47) MAOBARCYP1A2POLBNPC1
SCHEMBL3090890 0.75 ALDH1A1 (0.43) MAOBARCYP1A1CYP1A2CYP1B1
SCHEMBL3110166 0.75 EGFR (0.49) MAOBCYP1A1CYP1A2CYP1B1TNKS
SCHEMBL19859384 0.71 PDE4A (0.42) MAOBGCGRPOLBNPC1RAB9A
SCHEMBL3111630 0.70 NPC1 (0.36) NPC1RAB9A
SCHEMBL3112745 0.68 EGFR (0.51) MAOBTNKSTNKS2NPC1RAB9A

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 MAOB 1916/4885AR 445/4885GCGR 3/4885

“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.