SCHEMBL17276299

SCHEMBL17276299

CCOC(=O)c1ccc(C(C)(C)C#N)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
TSHR P16473 3/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5353547 0.83 NPC1 (0.46) NPC1CA12CA1CA2CA7
SCHEMBL16647662 0.82 MRGPRX4 (0.51) NPC1CA12CA1CA2CA7
SCHEMBL30134142 0.81 MAOB (0.38) L3MBTL1KDM4EALDH1A1GAARXFP1
SCHEMBL17276118 0.81 CA12 (0.43) NPC1CA12CA1CA2CA7
SCHEMBL15956284 0.78 CA1 (0.54) NPC1CA12CA1CA2CA7
SCHEMBL4178450 0.77 CA12 (0.47) NPC1CA12CA1CA2CA7
SCHEMBL1368413 0.76 CYP4F2 (0.48) NPC1CA12CA1CA2CA7
SCHEMBL367075 0.76 TSHR (0.57) NPC1CA12CA1CA2CA7
SCHEMBL7222675 0.76 TSHR (0.53) NPC1CA12CA1CA2CA7
SCHEMBL25277408 0.75 CYP1A2 (0.43) NPC1TSHRL3MBTL1KDM4EALDH1A1

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-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
US-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 US disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 US disclosed
WO-2015176267-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 WO 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 (2 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-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 NPC1 283/4885CA12 4182/4885CA1 4611/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 NPC1 283/4885CA12 4182/4885CA1 4611/4885

“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.