SCHEMBL6281691

SCHEMBL6281691

CCc1cc(CCCl)cc2c1NC(=O)CC2(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
PDK2 Q15119 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
AKT1 P31749 1/20 0.31

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
SCHEMBL6221267 0.92 TSHR (0.31) TSHRNPSR1RARBRARGPDK2
SCHEMBL6457990 0.92 TSHR (0.31) TSHRNPSR1RARBRARGPDK2
SCHEMBL6246415 0.84 RARB (0.32) TSHRNPSR1RARBRARG
SCHEMBL6249654 0.84 KMT2A (0.33) TSHRNPSR1RARBRARG
SCHEMBL6219539 0.77 RARB (0.31) RARBRARG
SCHEMBL6222533 0.77 KMT2A (0.31) RARBRARG
SCHEMBL6219421 0.76 PTGS2 (0.37) RARBRARGPDK2
SCHEMBL6746206 0.76 RARB (0.38) TSHRNPSR1RARBRARGPDK2
SCHEMBL6248065 0.74 HDAC3 (0.44) RARBRARG
SCHEMBL5766132 0.74 RARB (0.31) RARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TSHR 378/4885NPSR1 52/4885RARB 653/4885

“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.