SCHEMBL892530

SCHEMBL892530

O=C(O)CCc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTR2A P28223 1/20 0.63
TRPM8 Q7Z2W7 1/20 0.63
MTNR1A P48039 1/20 0.63
MTNR1B P49286 1/20 0.63
GPR84 Q9NQS5 1/20 0.61
MMP9 P14780 1/20 0.60
MMP8 P22894 1/20 0.60
MMP14 P50281 1/20 0.60
GFER P55789 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TSHR P16473 1/20 0.59
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
GPR17 Q13304 1/20 0.57
SLC6A4 P31645 1/20 0.56
SNCA P37840 5/20 0.54
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53

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
SCHEMBL9149154 0.91 GFER (0.64) HPGDCYP2C19HTR2ATRPM8MTNR1A
SCHEMBL5343010 0.89 GFER (0.62) HPGDCYP2C19HTR2ATRPM8MTNR1A
SCHEMBL16540415 0.88 GPR84 (0.61) HPGDCYP2C19HTR2ATRPM8MTNR1A
SCHEMBL4878964 0.87 MTNR1A (0.69) HPGDCYP2C19HTR2ATRPM8MTNR1A
SCHEMBL1615011 0.84 TSHR (0.69) HPGDHTR2ATRPM8MTNR1AMTNR1B
SCHEMBL1723364 0.83 NPSR1 (0.72) HPGDCYP2C19HTR2AHSD17B10TSHR
SCHEMBL351519 0.83 MTNR1A (0.64) HTR2ATRPM8MTNR1AMTNR1BGPR84
Oxalic Acid SCHEMBL27132838 0.82 HTR2A (0.83) CYP2C19HTR2ATRPM8MTNR1AMTNR1B
Oxalic Acid SCHEMBL30724502 0.82 HTR2A (0.83) CYP2C19HTR2ATRPM8MTNR1AMTNR1B
SCHEMBL1519943 0.82 CYP2C19 (1.00) HPGDCYP2C19HTR2ATRPM8HSD17B10

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 WO disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-11-06 US disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO disclosed
EP-3190109-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven (BE) 2017-07-12 EP disclosed
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
EP-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed
EP-0939077-A2 3-Substituted 1-arylindole compounds as 5-HT2 antagonists H. LUNDBECK A/S (DK) 1999-09-01 EP disclosed
US-5789404-A CENTRAL NERVOUS SYSTEM DISORDERS AND ANTISEROTONIN AGENTS H. LUNDBECK A/S (DK) 1998-08-04 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
EP-0734384-A1 3-SUBSTITUTED 1-ARYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1996-10-02 EP disclosed
WO-1995016684-A1 3-SUBSTITUTED 1-ARYLINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 1995-06-22 WO disclosed
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP disclosed
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP disclosed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
EP-0464558-A1 Antimigraine alkoxypyrimidine derivatives Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 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-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN HPGD 1017/4885CYP2C19 4378/4885HTR2A 106/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN HPGD 979/4885CYP2C19 4443/4885HTR2A 112/4885

“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.