SCHEMBL1804680

SCHEMBL1804680

OCCCCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.54
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
IDO1 P14902 4/20 0.46
PNMT P11086 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AOC3 Q16853 1/20 0.46
KCNH2 Q12809 1/20 0.46
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6062588 0.98 TAAR1 (0.52) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7037675 0.98 TAAR1 (0.52) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1044928 0.93 TAAR1 (0.56) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1822278 0.86 TAAR1 (0.62) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL624730 0.84 TAAR1 (0.60) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29538519 0.84 TAAR1 (0.60) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9672220 0.84 LIPG (0.43) TAAR1SLC6A4
SCHEMBL30750761 0.84 LIPG (0.43) TAAR1SLC6A4
SCHEMBL2178352 0.81 LIPG (0.47) SLC6A4
SCHEMBL5098205 0.81 TAAR1 (0.49) TAAR1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3443959-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2019-02-20 EP disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
EP-2861571-B1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO LTD (KR) 2017-05-03 EP disclosed
EP-2760829-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013048982-A1 PYRROLINONE CARBOXAMIDE COMPOUNDS USEFUL AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
CN-1274839-C Process for the preparation of enantiomerically enriched esters and alcohols DSM NV (NL) 2006-09-13 CN disclosed
CN-1430677-A Process for the preparation of enantiomerically enriched esters and alcohols DSM NV (NL) 2003-07-16 CN disclosed
EP-0808796-B1 Process for the preparation of hydrogen peroxide ENICHEM SPA (IT) 2000-02-09 EP disclosed
US-5783164-A PALLADIUM CATALYST WITH A NITROGENATED LIGAND STABLE TO OXIDATION ENICHEM S.P.A. (IT) 1998-07-21 US disclosed
EP-0808796-A1 Process for the preparation of hydrogen peroxide ENICHEM S.p.A. (IT) 1997-11-26 EP disclosed
US-4040977-A HALOACETAMIDE OR THIOCYANOACETAMIDE-ALCOHOL-FORMALDEHYDE CONDENSATES STERLING DRUG INC. (US) 1977-08-09 US 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS TAAR1 4769/4885HTR3E 4068/4885HTR3B 4355/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 TAAR1 1933/4885HTR3E 4248/4885HTR3B 4499/4885

“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.