SCHEMBL2856692

SCHEMBL2856692

COc1cccc(NC(=O)CO)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.68
NPC1 O15118 3/20 0.68
USP2 O75604 1/20 0.68
ALDH1A1 P00352 1/20 0.68
RAB9A P51151 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MTNR1B P49286 2/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 2/20 0.63
GAA P10253 1/20 0.63
ALOX15 P16050 1/20 0.63
MTNR1A P48039 1/20 0.62
TSHR P16473 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
NLRP3 Q96P20 1/20 0.60

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
SCHEMBL5142657 0.90 NPC1 (0.75) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL23080160 0.87 MTNR1B (0.70) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL5806693 0.87 HPGD (0.68) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL1141400 0.87 MTNR1B (0.81) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL16896918 0.85 NPC1 (0.74) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL31390722 0.85 ALDH1A1 (0.70) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL3753125 0.85 HPGD (0.67) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL3470179 0.85 MEN1 (0.69) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL2502606 0.85 NPC1 (0.76) HPGDNPC1USP2ALDH1A1RAB9A
SCHEMBL30619848 0.85 HPGD (0.67) HPGDNPC1USP2ALDH1A1RAB9A

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
EP-0070016-A1 Method and composition for increasing reproduction in mammalian and avian species THE UNIVERSITY OF UTAH (US) 1983-01-19 EP claimed
CN-1984900-B Indole derivatives having piperidine ring EISAI R&D MAN CO LTD 2010-11-10 CN disclosed
US-7794761-B2 Methods for inducing anti-anxiety and calming effects in animals and humans SEROCTIN RESEARCH & TECHNOLOGY, INC. (US) 2010-09-14 US disclosed
US-7521468-B2 Compounds for use in weight loss and appetite suppression in humans SEROCTIN RESEARCH & TECHNOLOGY, INC. (US) 2009-04-21 US disclosed
CN-1984900-A Indole derivatives having piperidine ring EISAI R&D MAN CO LTD (JP) 2007-06-20 CN disclosed
EP-1765338-A1 METHODS FOR INDUCING ANTI-ANXIETY AND CALMING EFFECTS IN ANIMALS AND HUMANS Seroctin Research & Technologies, Inc. (US) 2007-03-28 EP disclosed
US-20060223796-A1 Novel compounds for use in weight loss and appetite suppression in humans SAVANNA HEALTH LLC 2006-10-05 US disclosed
WO-2006017281-A1 METHODS FOR INDUCING ANTI-ANXIETY AND CALMING EFFECTS IN ANIMALS AND HUMANS SEROCTIN RESEARCH & TECHNOLOGY, INC. (US) 2006-02-16 WO disclosed
US-20050250772-A1 Methods for inducing anti-anxiety and calming effects in animals and humans SAVANNA HEALTH LLC 2005-11-10 US disclosed
US-20040209877-A1 Methods for augmenting immune defenses contemplating the administration of phenolic and indoleamine-like compounds for use in animals ans humans SEROCTIN RESEARCH & TECHNOLOGY, INC. 2004-10-21 US disclosed
US-20040192669-A1 Novel compounds for use in weight loss and appetite suppression in humans SEROCTIN RESEARCH & TECHNOLOGY, INC. 2004-09-30 US disclosed
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed
EP-0070016-A1 Method and composition for increasing reproduction in mammalian and avian species THE UNIVERSITY OF UTAH (US) 1983-01-19 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-20040192669-A1 Novel compounds for use in weight loss and appetite suppression in humans CPT1B, FABP4, EGLN1 HPGD 388/4885NPC1 2135/4885USP2 3891/4885
US-20040209877-A1 Methods for augmenting immune defenses contemplating the administration of phenolic and indoleamine-like compounds for use in animals ans humans HAAO, HMOX1, IDO1 HPGD 71/4885NPC1 3130/4885USP2 2345/4885
US-20050250772-A1 Methods for inducing anti-anxiety and calming effects in animals and humans CALM1, HAAO, MYB HPGD 72/4885NPC1 3756/4885USP2 4083/4885
US-20060223796-A1 Novel compounds for use in weight loss and appetite suppression in humans CPT1B, EGLN3, MYB HPGD 381/4885NPC1 2243/4885USP2 3658/4885

“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.