SCHEMBL3214716

SCHEMBL3214716

CNC1CC=C(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
SLC6A2 P23975 1/20 0.46
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
HTR1D P28221 10/20 0.42
SLC6A4 P31645 4/20 0.42
HTR1E P28566 2/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL3211442 0.84 HTR1D (0.46) CDK7CDK9HTR1DSLC6A4HTR1E
SCHEMBL3661903 0.83 HTR1D (0.44) NOS3NOS1SLC6A2CDK7CDK9
SCHEMBL3227327 0.81 SLC6A4 (0.66) NOS3NOS1SLC6A2CDK7CDK9
SCHEMBL7951141 0.80 HTR1D (0.41) CDK7CDK9HTR1DHTR1EHTR1A
SCHEMBL3217678 0.78 CDK7 (0.45) CDK7CDK9HTR1DHTR1EHTR1A
SCHEMBL3216107 0.76 CDK9 (0.39) CDK7CDK9HTR1DSLC6A4
SCHEMBL3206033 0.76 CDK9 (0.39) CDK7CDK9HTR1DSLC6A4
SCHEMBL3214861 0.76 JAK3 (0.39) CDK7CDK9HTR1DHTR1EHTR1A
SCHEMBL3653965 0.74 HTR1D (0.41) CDK7CDK9HTR1DSLC6A4HTR1E
SCHEMBL3216008 0.74 JAK2 (0.44) CDK7CDK9HTR1DHTR1EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B NOS3 1141/4885NOS1 1762/4885SLC6A2 132/4885

“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.