SCHEMBL6630596

SCHEMBL6630596

Nc1cccc(-c2ccc(CCNC3CC4CCC(C3)N4Cc3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.43
NOS3 P29474 6/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
LTA4H P09960 1/20 0.37
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
ROCK2 O75116 1/20 0.35
ARHGDIA P52565 1/20 0.35
ROCK1 Q13464 1/20 0.35
CXCR6 O00574 1/20 0.35

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
SCHEMBL6630681 0.93 NOS1 (0.52) NOS1NOS3MEN1KMT2ACHRM2
SCHEMBL6622190 0.92 NOS1 (0.42) NOS1NOS3MEN1KMT2AMAPT
SCHEMBL6630688 0.91 NOS1 (0.43) NOS1NOS3MEN1KMT2AMAPT
SCHEMBL6630085 0.85 NOS1 (0.50) NOS1NOS3MEN1KMT2ACHRM2
SCHEMBL6650407 0.84 NOS1 (0.51) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6619110 0.83 NOS1 (0.41) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6618963 0.83 NOS1 (0.41) NOS1NOS3MEN1KMT2AMAPT
SCHEMBL6620244 0.81 NOS1 (0.39) NOS1NOS3KMT2A
SCHEMBL6630895 0.78 NOS1 (0.46) NOS1NOS3CHRM2CHRM4DRD2
SCHEMBL6632307 0.76 NOS1 (0.60) NOS1NOS3MEN1KMT2ACHRM2

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
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US claimed
EP-1471055-A1 6-phenylpyridyl-2-amine derivatives PFIZER INC. (US) 2004-10-27 EP disclosed
EP-1446405-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC Biotech Inc. (US) 2004-08-18 EP disclosed
WO-2003033499-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC BIOTECH INC. (US) 2003-04-24 WO disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 NOS1 3/4885NOS3 2/4885MEN1 4362/4885

“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.