SCHEMBL4490599

SCHEMBL4490599

CN(C)CCN(Cc1ccc(F)cc1)Cc1cc(-c2ccc3[nH]cc(C#N)c3c2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.45
▸ MPO P05164 4/20 0.40
▸ HTR1D P28221 3/20 0.37
▸ HTR1B P28222 3/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ HTR2A P28223 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
Trifluoroacetic Acid SCHEMBL3699962 0.92 SLC6A4 (0.39) SLC6A4MPOHTR1DHTR1BHTR1A
SCHEMBL3692381 0.81 CDK4 (0.43) SLC6A4MPOSLC6A2PIM1PIM3
SCHEMBL3695400 0.80 TNIK (0.41) SLC6A4MPOSLC6A2
SCHEMBL10039142 0.68 TAAR1 (0.61) —
SCHEMBL13604964 0.67 MAPK1 (0.43) SLC6A4MPOSLC6A2HTR2A
SCHEMBL7324098 0.67 MPO (0.79) SLC6A4MPOHTR1DHTR1BHTR1A
SCHEMBL3646740 0.67 IMPDH2 (0.56) SLC6A4MPOHTR1AHTR2A
SCHEMBL13604783 0.67 SLC6A4 (0.38) SLC6A4SLC6A2HTR2A
SCHEMBL6730369 0.67 SLC6A4 (0.44) SLC6A4SLC6A2
SCHEMBL7221839 0.64 SLC6A4 (0.51) SLC6A4MPOHTR1DHTR1BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 — — CN claimed
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-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 — — US disclosed
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 — — CN 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
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 SLC6A4 50/4885MPO 2944/4885HTR1D 9/4885

“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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