SCHEMBL3398978

SCHEMBL3398978

CON(C)C(=O)/C=C/c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.58
TNFRSF1A P19438 1/20 0.53
MAOB P27338 4/20 0.50
MAOA P21397 3/20 0.50
CTSL P07711 2/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPA1 O75762 1/20 0.47
APP P05067 2/20 0.47
EPHX2 P34913 1/20 0.47
NFE2L2 Q16236 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3398985 1.00 HSD11B1 (0.58) HSD11B1TNFRSF1AMAOBMAOACTSL
SCHEMBL4900457 0.85 HSD11B1 (0.62) HSD11B1TNFRSF1AMAOBMAOAPOLB
SCHEMBL9302644 0.84 TRPM8 (0.58) MAOBMAOAPOLBKMT2AAPP
SCHEMBL10569133 0.84 HSD11B1 (0.60) HSD11B1TNFRSF1AMAOBMAOAMEN1
SCHEMBL9302651 0.84 TRPM8 (0.58) MAOBMAOAPOLBKMT2AAPP
SCHEMBL6254356 0.82 F3 (0.68) MAOBMAOALMNAMAPT
SCHEMBL2830756 0.82 MAPT (0.54) MAOBMAOAPOLBMEN1KMT2A
SCHEMBL5677325 0.82 RAB9A (0.58) MAOBMAOAMEN1KMT2ALMNA
SCHEMBL5677328 0.82 RAB9A (0.58) MAOBMAOAMEN1KMT2ALMNA
SCHEMBL2830755 0.82 MAPT (0.54) MAOBMAOAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024048438-A1 DIASTEREOMER PREPARATION METHOD, AND SOLID-PHASE PHOTOSENSITIZER 学校法人東京理科大学 2024-03-07 WO disclosed
EP-2825538-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2016-06-01 EP disclosed
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2825538-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Bristol-Myers Squibb Company (US) 2015-01-21 EP disclosed
US-8765767-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-01 US disclosed
WO-2013138687-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-19 WO disclosed
US-20130245042-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2013-09-19 US disclosed
EP-2249820-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-11-17 EP disclosed
WO-2009089082-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 WO disclosed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 US disclosed
US-7144881-B2 Arylcyclopropylcarboxylic amides as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
EP-1565190-A4 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2006-04-26 EP disclosed
EP-1565190-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-08-24 EP disclosed
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004047738-A2 ARYLCYCLOPROPYLCARBOXYLIC AMIDES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 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 (3 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-20090176883-A1 TRPA1 Antagonists TRPA1, TRPV1, TRPV3 HSD11B1 3384/4885TNFRSF1A 1454/4885MAOB 1484/4885
US-20040110754-A1 2-(2-fluoro-phenyl)-cyclopropanecarboxylic acid[1-(2,3-dihydro-benzofuran-5-yl)-ethyl]-amide for example; for pain, migraine, neuropathic pain, bipolar disorders, convulsions, mania, epilepsy, anxiety, depression and neurodegenerative disorders KCNQ2, KCNQ5, KCNJ2 HSD11B1 3320/4885TNFRSF1A 3103/4885MAOB 611/4885
US-20130245042-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2C HSD11B1 3402/4885TNFRSF1A 3540/4885MAOB 3510/4885

“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.