SCHEMBL13637811

SCHEMBL13637811

CCN1CCN(c2ccccc2)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.53
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FNTA P49354 2/20 0.46
PGGT1B P53609 2/20 0.46
FNTB P49356 1/20 0.46
DRD2 P14416 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
DRD3 P35462 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL13256434 0.87 DRD2 (0.56) CHRNA7NPC1RAB9AMEN1KMT2A
SCHEMBL19708630 0.85 GAA (0.57) CHRNA7MEN1KMT2AFNTAPGGT1B
SCHEMBL2634821 0.83 DDB1 (0.46) CHRNA7MEN1KMT2AFNTAPGGT1B
SCHEMBL21959945 0.82 PIK3CD (0.54) NPC1RAB9AMEN1KMT2AFNTA
SCHEMBL1576273 0.81 SIGMAR1 (0.55) NPC1RAB9AMEN1KMT2AFNTA
SCHEMBL23328305 0.81 DRD2 (0.49) MEN1KMT2AFNTAPGGT1BFNTB
SCHEMBL23291481 0.80 KMT2A (0.47) NPC1RAB9AMEN1KMT2AFNTA
SCHEMBL19708633 0.79 ALDH1A1 (0.50) KMT2A
SCHEMBL2634327 0.77 MAPT (0.51) NPC1RAB9AMEN1KMT2A
SCHEMBL3230978 0.77 CHRNA7 (0.50) CHRNA7NPC1RAB9AMEN1KMT2A

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
US-7618971-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-11-17 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-20080027058-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-01-31 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 (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-20080027058-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF23 CHRNA7 3685/4885NPC1 1071/4885RAB9A 1651/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 CHRNA7 2799/4885NPC1 31/4885RAB9A 1983/4885

“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.