SCHEMBL3101189

SCHEMBL3101189

Cc1oc(-c2ccc(Cl)nc2)cc1C(Cl)CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KCNH2 Q12809 1/20 0.34
PIK3CD O00329 1/20 0.33
NOTUM Q6P988 1/20 0.32
TERT O14746 3/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
CYP2A6 P11509 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL3107077 0.86 NPC1 (0.33) NPC1RAB9AKCNH2PIK3CDNOTUM
SCHEMBL3101187 0.84 HDAC6 (0.39) KCNH2CYP2A6
SCHEMBL3102590 0.82 CYP1A1 (0.36) AKR1C3AKR1C2
SCHEMBL3110128 0.78 MAOB (0.36) NPC1RAB9AMEN1KMT2A
SCHEMBL3107562 0.78 DYRK1A (0.33)
SCHEMBL3100893 0.76 SOS1 (0.42) KMT2A
SCHEMBL3091435 0.76 EGFR (0.44) NPC1RAB9AKCNH2
SCHEMBL3106767 0.75 GABRP (0.38)
SCHEMBL3106989 0.75 NPC1 (0.39) NPC1RAB9AMEN1KMT2A
SCHEMBL3095936 0.74 HSP90AA1 (0.33) KCNH2

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 NPC1 3994/4885RAB9A 3790/4885KCNH2 426/4885

“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.