SCHEMBL5764522

SCHEMBL5764522

Cc1cccc2c1NC(=O)CC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.46
CNR1 P21554 1/20 0.43
HTT P42858 1/20 0.43
GPR35 Q9HC97 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
CREBBP Q92793 2/20 0.41
DAO P14920 1/20 0.41
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
GRIA1 P42261 2/20 0.36
CACNG8 Q8WXS5 2/20 0.36
KDM4E B2RXH2 2/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL17478594 0.81 PDE7A (0.45) PDE7ACA12CA1CA2CA4
SCHEMBL15519370 0.81 PDE7A (0.46) PDE7ACA12CA1CA2CA4
SCHEMBL6221451 0.81 AHR (0.54) PDE7ACREBBPDAOCA12CA1
SCHEMBL10587563 0.81 TYMS (0.38) AHRPGRPDK2PDK4RARB
SCHEMBL6221081 0.79 PDK2 (0.58) DAOKDM4EAHRALDH1A1PDK2
SCHEMBL3079489 0.77 PDK2 (0.44) CREBBPKDM4EAHRALDH1A1PGR
SCHEMBL15135472 0.77 RARB (0.36) CREBBPCA12CA1CA2CA4
SCHEMBL9378647 0.76 TDP1 (0.41) GPR35
SCHEMBL7274353 0.74 KDM4E (0.38) KDM4EALDH1A1HPGDRARBRARG
SCHEMBL3072597 0.73 ALOX5 (0.44) CREBBPKDM4EALDH1A1PDK2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701954-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2006-09-20 EP disclosed
WO-2005066165-A1 N-SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-07-21 WO disclosed
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP disclosed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US disclosed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 WO disclosed
US-4898872-A Imidazo[4,5-b]pyridyl quinolone cardiac stimulants PFIZER INC. (US) 1990-02-06 US disclosed
EP-0290153-A1 Heterobicyclic quinolone derivatives Pfizer Limited (GB) 1988-11-09 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 (1 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 PDE7A 2747/4885CNR1 1/4885HTT 1261/4885

“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.