SCHEMBL1590331

SCHEMBL1590331

C[C@@H](C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.61
PTGS1 P23219 5/20 0.57
LMNA P02545 2/20 0.57
CYP2C9 P11712 2/20 0.57
AKR1C3 P42330 2/20 0.57
CXCR1 P25024 2/20 0.57
CXCR2 P25025 2/20 0.57
ALB P02768 1/20 0.57
ESR1 P03372 1/20 0.57
ALOX5 P09917 1/20 0.57
RARB P10826 1/20 0.57
ADRB3 P13945 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR2A P28223 1/20 0.57
NR1I3 Q14994 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
CXCL8 P10145 1/20 0.57
TSHR P16473 1/20 0.57
AKR1C2 P52895 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL598280 1.00 PTGS2 (0.61) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL121108 1.00 PTGS2 (0.61) PTGS2PTGS1LMNACYP2C9AKR1C3
Hydrochloric Acid SCHEMBL5846545 0.98 PTGS2 (0.59) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL11884258 0.94 PTGS2 (0.71) PTGS2PTGS1LMNACYP2C9AKR1C3
Guanidine SCHEMBL5348313 0.90 PTGS2 (0.52) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL11568894 0.89 PTGS2 (0.50) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL59197 0.88 PTGS2 (0.74) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL15695554 0.86 BRD4 (0.61) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL12225982 0.86 BRD4 (0.61) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL6551674 0.86 PTGS2 (0.65) PTGS2PTGS1LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752419-B1 SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2019-01-02 EP disclosed
EP-2251316-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-02-21 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-9108995-B2 Spirobenzylamine-phosphine, preparation method therefor and use thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2015-08-18 US disclosed
US-9108995-B2 Spirobenzylamine-phosphine, preparation method therefor and use thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2015-08-18 US disclosed
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-07-10 US disclosed
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-07-10 US disclosed
EP-2752419-A1 SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-07-09 EP disclosed
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Educational Foundation Administration Organization (JP) 2014-05-15 US disclosed
EP-2719679-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2014-04-16 EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
CN-1735595-A Substituted alkyl amido piperidines LUNDBECK & CO AS H (DK) 2006-02-15 CN disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 WO disclosed
EP-0759425-A2 Process for the preparation of optically active 1-aryl-alkylamines BAYER AG (DE) 1997-02-26 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 (6 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-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R PTGS2 3508/4885PTGS1 1552/4885LMNA 3611/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 PTGS2 204/4885PTGS1 130/4885LMNA 1911/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R PTGS2 3508/4885PTGS1 1552/4885LMNA 3611/4885
US-20140135520-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ALDH1A2, ADH1C, ADH1A PTGS2 2021/4885PTGS1 2304/4885LMNA 3362/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R PTGS2 3508/4885PTGS1 1552/4885LMNA 3611/4885
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof FAR1, WEE1, ALDH7A1 PTGS2 3262/4885PTGS1 1814/4885LMNA 4351/4885

“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.