SCHEMBL13604775

SCHEMBL13604775

Fc1ccc([C@H]2CNCCN2Cc2cc(-c3ccc4[nH]nnc4c3)ccc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ RORC P51449 4/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL3692987 0.83 CYP2D6 (0.47) MAPK1ROCK2CYP2D6SLC6A2SLC6A4
SCHEMBL6730155 0.83 CYP2D6 (0.47) MAPK1ROCK2CYP2D6SLC6A2SLC6A4
SCHEMBL13604963 0.80 TNIK (0.39) DPP4DPP7CYP2D6SLC6A2SLC6A4
SCHEMBL13604783 0.76 SLC6A4 (0.38) DPP4DPP7SLC6A2SLC6A4SLC6A3
SCHEMBL3698706 0.73 MPO (0.44) ALDH1A1
SCHEMBL3696766 0.70 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL3697950 0.69 NSD2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5606183 0.68 CHRM3 (0.49) CYP2D6
SCHEMBL3697509 0.68 P4HB (0.40) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL13604843 0.68 MAPK1 (0.56) MAPK1ROCK2SLC6A2SLC6A4SLC6A3

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-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — US disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 — — 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-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C DPP4 3289/4885DPP7 3627/4885MAPK1 4607/4885

“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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