SCHEMBL3112975

SCHEMBL3112975

Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(Cl)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
ALDH1A1 P00352 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP2A7 P20853 1/20 0.36
CYP3A7 P24462 1/20 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
SCHEMBL3095438 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3110128 0.82 MAOB (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3091435 0.80 EGFR (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19APP
SCHEMBL3106767 0.76 GABRP (0.38) CYP1A1CYP1A2CYP1B1
SCHEMBL3101189 0.75 NPC1 (0.34) CYP2A6AKR1C3AKR1C2
SCHEMBL3100893 0.75 SOS1 (0.42) ALDH1A1CYP1A1CYP1A2CYP1B1PTPN1
SCHEMBL3111672 0.73 TRPV1 (0.39) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL3108954 0.73 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3102590 0.73 CYP1A1 (0.36) CYP1A1CYP1B1AKR1C3AKR1C2CCNC
SCHEMBL3101211 0.73 PPARD (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 4552/4885PSEN2 4687/4885APH1B 4024/4885

“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.