SCHEMBL3100893

SCHEMBL3100893

Cc1oc(-c2cccc(Cl)c2)cc1C(Cl)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.42
SLC9A1 P19634 3/20 0.39
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GABRP O00591 4/20 0.38
GABRD O14764 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA2 P47869 4/20 0.38
GABRB2 P47870 4/20 0.38
GABRA4 P48169 4/20 0.38
GABRE P78334 4/20 0.38
GABRA6 Q16445 4/20 0.38
GABRG1 Q8N1C3 4/20 0.38
GABRG3 Q99928 4/20 0.38
GABRQ Q9UN88 4/20 0.38

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
SCHEMBL3110128 0.86 MAOB (0.36) CYP1A2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL3098646 0.85 SLC9A1 (0.41) SOS1SLC9A1CYP1A2ALDH1A1GABRP
SCHEMBL3106767 0.85 GABRP (0.38) SLC9A1CYP1A2GABRPGABRDGABRA1
SCHEMBL3101023 0.83 SMN1; SMN2 (0.42) SLC9A1CYP1A2ALDH1A1KDM4EMAPT
SCHEMBL3107562 0.80 DYRK1A (0.33)
SCHEMBL3102590 0.79 CYP1A1 (0.36) CYP1A1CYP1B1
SCHEMBL3101189 0.76 NPC1 (0.34) KMT2A
SCHEMBL3091435 0.76 EGFR (0.44) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL3112858 0.74 NPC1 (0.46) SLC9A1ALDH1A1KDM4EGAAMAPT
SCHEMBL16021537 0.73 SLC9A1 (0.54) SOS1SLC9A1CYP1A2ALDH1A1GABRP

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 SOS1 582/4885SLC9A1 409/4885CYP1A2 1570/4885

“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.