SCHEMBL2899349

SCHEMBL2899349

Cc1cc(Cl)ccc1C[C@H](N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
USP2 O75604 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.47
RGS12 O14924 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
THPO P40225 1/20 0.47
CASP7 P55210 1/20 0.47
GNAI1 P63096 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL12713283 1.00 CYP2C9 (0.48) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL12713285 1.00 CYP2C9 (0.48) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL2797496 1.00 CYP2C9 (0.48) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL29351668 0.83 USP2 (0.50) CYP2C9CYP3A4USP2ALOX15HSD17B10
SCHEMBL44904 0.83 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL29350881 0.83 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL44905 0.83 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL668470 0.83 USP2 (0.50) CYP2C9CYP3A4USP2ALOX15HSD17B10
SCHEMBL1613174 0.83 HDAC8 (0.58) CYP2C9CYP3A4CYP1A2USP2ALOX15
SCHEMBL668469 0.83 USP2 (0.50) CYP2C9CYP3A4USP2ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849018-B Piperazine derivatives 安斯泰来制药株式会社 2021-02-23 CN disclosed
EP-3333165-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2019-09-18 EP disclosed
US-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 US disclosed
EP-3333165-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2018-06-13 EP disclosed
CN-107849018-A Bridged piperazine derivatives 安斯泰来制药株式会社 2018-03-27 CN disclosed
US-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
EP-1622618-A4 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES INC (US) 2008-08-27 EP disclosed
WO-2007115798-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-10-18 WO disclosed
EP-1622618-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS Palatin Technologies, Inc. (US) 2006-02-08 EP disclosed
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2005-08-11 US disclosed
WO-2004098602-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2004-11-18 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 (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-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 CYP2C9 4786/4885CYP3A4 2581/4885CYP1A2 3954/4885
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders MC3R, MC4R, MC1R CYP2C9 2245/4885CYP3A4 2689/4885CYP1A2 2611/4885

“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.