SCHEMBL4508032

SCHEMBL4508032

NC1COc2ccc3c(c2C1)C(=O)NC3

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 16/20 0.43
▸ HTR1A P08908 14/20 0.43
▸ AURKA O14965 2/20 0.36
▸ KDR P35968 1/20 0.33

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
SCHEMBL4508514 0.86 HTR1A (0.45) SLC6A4HTR1A
SCHEMBL13954210 0.81 SLC6A4 (0.42) SLC6A4HTR1AAURKAKDR
SCHEMBL4709030 0.78 CDK5 (0.37) —
SCHEMBL4499217 0.72 PARP1 (0.39) —
SCHEMBL4492639 0.64 HTR1A (0.49) SLC6A4HTR1A
SCHEMBL23652804 0.64 CHRNB2 (0.31) —
SCHEMBL10699275 0.64 DRD2 (0.33) —
SCHEMBL4510020 0.63 CYP1A2 (0.40) AURKAKDR
SCHEMBL28148460 0.62 ESR1 (0.39) —
SCHEMBL28968552 0.62 DPP4 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495111-B2 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2009-02-24 — — US disclosed
US-7495111-B2 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2009-02-24 — — US disclosed
US-7495111-B2 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2009-02-24 — — US disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 — — US disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 — — US disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 — — 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-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists HTR1A, HTR7, HTR3A SLC6A4 45/4885HTR1A 1/4885AURKA 1995/4885

“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.

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