SCHEMBL241491

SCHEMBL241491

Cn1nnc2cc(C(=O)Cl)ccc21

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.73
HPGD P15428 4/20 0.62
MAPT P10636 3/20 0.62
POLB P06746 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 5/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 2/20 0.60
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
AHR P35869 1/20 0.52
PKM P14618 1/20 0.50
KEAP1 Q14145 2/20 0.49

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
SCHEMBL599138 0.85 HCAR3 (1.00) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL12369468 0.85 HCAR3 (0.76) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL29751005 0.83 HCAR3 (0.73) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL21409085 0.83 HCAR3 (0.73) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL2876917 0.81 HCAR3 (0.69) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL1020492 0.80 HCAR3 (0.76) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL30767829 0.80 MAPT (0.70) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL29069383 0.80 MAPT (0.70) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL27688175 0.77 HCAR3 (0.49) HCAR3HPGDMAPTPOLBSMN1; SMN2
SCHEMBL28782983 0.77 HCAR3 (0.64) HCAR3HPGDMAPTPOLBSMN1; 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118879386-B Emulsified oil for hydraulic support and preparation method thereof 圣保路石油化工(天津)股份有限公司 2024-12-24 CN claimed
CN-118879386-A Emulsified oil for hydraulic support and preparation method thereof 圣保路石油化工(天津)股份有限公司 2024-11-01 CN claimed
CN-118879386-B Emulsified oil for hydraulic support and preparation method thereof 圣保路石油化工(天津)股份有限公司 2024-12-24 CN disclosed
CN-118879386-A Emulsified oil for hydraulic support and preparation method thereof 圣保路石油化工(天津)股份有限公司 2024-11-01 CN disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-1567496-B1 PHENYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2007-04-11 EP disclosed
US-7176316-B2 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
EP-1594840-B1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
US-20060014789-A1 Phenyl-piperidin-4-ylidene-methyl-benzamide derivatives for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-01-19 US disclosed
EP-1594840-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP disclosed
EP-1567496-A1 PHENYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2005-08-31 EP disclosed
WO-2004072034-A1 PIPERIDINE-BENZENESULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-08-26 WO disclosed
US-20040167166-A1 Amino-piperidine derivatives HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004041784-A1 PHENYL-PIPERIDIN-4-YLIDENE-METHYL-BENZAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2004-05-21 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 (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-20040167166-A1 Amino-piperidine derivatives OPRL1, GRIA1, GRIN1 HCAR3 1938/4885HPGD 2870/4885MAPT 64/4885
US-20060014789-A1 Phenyl-piperidin-4-ylidene-methyl-benzamide derivatives for the treatment of pain or gastrointestinal disorders TRPV1, TRPA1, OPRM1 HCAR3 1042/4885HPGD 1452/4885MAPT 3436/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HCAR3 1231/4885HPGD 2604/4885MAPT 1870/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 HCAR3 1231/4885HPGD 2604/4885MAPT 1870/4885

“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.