SCHEMBL5432639

SCHEMBL5432639

COc1ccccc1CCNc1ncnc2cc(-c3ncccc3C(F)(F)F)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 11/20 0.55
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MAPK1 P28482 5/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ EGFR P00533 2/20 0.47
▸ USP2 O75604 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL5428616 0.90 TRPV1 (0.61) TRPV1ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL5431074 0.88 TRPV1 (0.57) TRPV1ALDH1A1RXFP1MAPK1CYP1A2
SCHEMBL5431058 0.87 TRPV1 (0.58) TRPV1ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL5428633 0.87 TRPV1 (0.58) TRPV1ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL5428670 0.85 TRPV1 (0.55) TRPV1ALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL5436030 0.84 TRPV1 (0.49) TRPV1ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL5432627 0.84 TRPV1 (0.61) TRPV1ALDH1A1MAPK1CYP1A2CYP3A4
SCHEMBL5436155 0.83 TRPV1 (0.54) TRPV1ALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL5439742 0.82 TRPV1 (0.59) TRPV1
SCHEMBL5439678 0.81 TRPV1 (0.58) TRPV1ALDH1A1MAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues NEUROGEN CORPORATION (US) 2007-09-20 — — US disclosed
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues NEUROGEN CORPORATION (US) 2007-09-20 — — US disclosed
US-20070219203-A1 Arylalkylamino-substituted quinazoline analogues NEUROGEN CORPORATION (US) 2007-09-20 — — 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-20070219203-A1 Arylalkylamino-substituted quinazoline analogues PIGS, GPR35, HRH4 TRPV1 358/4885ALDH1A1 791/4885KDM4E 3940/4885

“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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