SCHEMBL4581959

SCHEMBL4581959

CCC1=C2CCCCC2N(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2A6 P11509 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP11B2 P19099 1/20 0.35
USP14 P54578 4/20 0.35
POLB P06746 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
GRM2 Q14416 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
CCR1 P32246 1/20 0.34
CCR2 P41597 1/20 0.34
HTR7 P34969 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL4580904 0.87 CYP19A1 (0.36) CYP19A1HRH3CYP11B2USP14HTR7
SCHEMBL4579431 0.85 NR3C2 (0.36) CYP19A1USP14CTSSCTSK
SCHEMBL4581779 0.83 AR (0.38) KCNH2
SCHEMBL4580525 0.80 CCR1 (0.38) HRH3ALDH1A1HPGDDRD3CCR1
SCHEMBL4795484 0.77 TSHR (0.36) CYP19A1USP14CTSSCTSK
SCHEMBL4580025 0.76 PRKCQ (0.38)
SCHEMBL4580734 0.73 CCR1 (0.33) KDM4EALDH1A1CCR1CCR2
SCHEMBL4581078 0.71 AR (0.35) KCNH2
SCHEMBL4580705 0.70 CYP11B2 (0.43) KDM4EALDH1A1HPGDALOX12CYP11B2
SCHEMBL4580923 0.70 KDM4E (0.38) CYP19A1HRH3KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 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 (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-20080076813-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, CCNB3 ELANE 2859/4885CYP19A1 483/4885CYP2A6 327/4885

“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.