SCHEMBL8167710

SCHEMBL8167710

Cc1ccc(C(O)(c2ccc(C)cc2)C2CCN(CCCC(=O)c3ccc(C(C)(C)C(=O)O)cc3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.80
▸ CYP3A4 P08684 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ CYP2B6 P20813 2/20 0.63
▸ HRH1 P35367 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ DRD3 P35462 2/20 0.60
▸ KCNH2 Q12809 2/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ PDE4A P27815 1/20 0.60
▸ HTR2A P28223 1/20 0.60
▸ HTR2B P41595 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PDE3A Q14432 1/20 0.60
▸ DRD2 P14416 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59

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
SCHEMBL1395734 0.93 CYP2J2 (0.84) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL18765452 0.92 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL3681404 0.92 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL12139245 0.89 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL2456116 0.89 CYP2J2 (0.73) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL11839177 0.89 CYP2J2 (0.92) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11791455 0.88 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
Hydrochloric Acid SCHEMBL11825888 0.88 CYP2J2 (0.90) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL13525525 0.85 CYP2J2 (0.82) CYP2J2CYP3A4CYP2C9CYP2B6HRH1
SCHEMBL5311000 0.84 CYP2J2 (0.90) CYP2J2CYP3A4CYP2C9CYP2B6HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476445-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2013-07-02 — — US disclosed
US-20110295014-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2011-12-01 — — US disclosed
US-8022220-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2011-09-20 — — US disclosed
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 — — US disclosed
US-7691615-B2 Process for the production of piperidine derivatives with microorganisms ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-06 — — US disclosed
US-7678915-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2010-03-16 — — US disclosed
US-20100010227-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-01-14 — — US disclosed
US-7560561-B2 Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2009-07-14 — — US disclosed
US-7232908-B2 Process for the production of piperidine derivatives with microorganisms AMR TECHNOLOGY, INC. (US) 2007-06-19 — — US disclosed
US-20070134774-A1 PROCESS FOR THE PRODUCTION OF PIPERIDINE DERIVATIVES WITH MICROORGANISMS AMR TECHNOLOGY, INC. (US) 2007-06-14 — — US disclosed
US-20070010677-A1 Process for production of piperidine derivatives AMR TECHNOLOGY, INC. (US) 2007-01-11 — — US disclosed
US-6153754-A Process for production of piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 2000-11-28 — — 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 (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-20110295014-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES OR10J3, NR1H2, NR1H3 CYP2J2 1451/4885CYP3A4 348/4885CYP2C9 714/4885
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES HPD, PTMA, HAAO CYP2J2 711/4885CYP3A4 22/4885CYP2C9 488/4885
US-20100010227-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES DDC, HPD, ALDH7A1 CYP2J2 1318/4885CYP3A4 54/4885CYP2C9 511/4885
US-20070010677-A1 Process for production of piperidine derivatives NR4A1, NR5A2, NR4A2 CYP2J2 801/4885CYP3A4 78/4885CYP2C9 335/4885

“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.

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