SCHEMBL3846489

SCHEMBL3846489

CNCC(=O)c1cccc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PARP1 P09874 1/20 0.57
POLB P06746 1/20 0.57
BLM P54132 1/20 0.57
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
HSD11B1 P28845 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52

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
Hydrochloric Acid SCHEMBL3849048 0.98 CES2 (0.59) CES2CES1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL15974464 0.98 CES2 (0.59) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11248287 0.86 CES2 (0.69) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL30758862 0.86 CES2 (0.69) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL7440403 0.84 MTNR1A (0.63) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL19407139 0.84 HTR1A (0.60) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL10767141 0.83 CES2 (0.56) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL21510065 0.83 CES2 (0.56) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL3846480 0.83 CHRM2 (0.58) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL23014560 0.81 MTNR1A (0.56) CES2CES1NPC1RAB9ASMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP disclosed
US-11028052-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-06-08 US disclosed
EP-3461816-B1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-03-24 EP disclosed
US-10421727-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2019-09-24 US disclosed
EP-3461816-A1 FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2019-04-03 EP disclosed
US-20170369447-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-12-28 US disclosed
US-9840471-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-12-12 US disclosed
US-20150376136-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2015-12-31 US disclosed
EP-2958897-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2015-12-30 EP disclosed
WO-2014130582-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2014-08-28 WO disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 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 (4 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-10421727-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 CES2 1020/4885CES1 3286/4885NPC1 815/4885
US-20150376136-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPA1 CES2 1020/4885CES1 3286/4885NPC1 815/4885
US-20170369447-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPA1 CES2 1020/4885CES1 3286/4885NPC1 815/4885
US-11028052-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPA1 CES2 1020/4885CES1 3286/4885NPC1 815/4885

“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.