SCHEMBL5431074

SCHEMBL5431074

Cc1ccccc1CCNc1ncnc2cc(-c3ncccc3C(F)(F)F)ccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 15/20 0.57
▸ PPARG P37231 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ NR2E3 Q9Y5X4 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ USP2 O75604 1/20 0.43

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 0.92 TRPV1 (0.61) TRPV1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5428633 0.90 TRPV1 (0.58) TRPV1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5431058 0.90 TRPV1 (0.58) TRPV1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5432639 0.88 TRPV1 (0.55) TRPV1RXFP1CYP1A2CYP3A4CYP2D6
SCHEMBL5432627 0.86 TRPV1 (0.61) TRPV1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5439678 0.86 TRPV1 (0.58) TRPV1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5447620 0.84 TRPV1 (0.56) TRPV1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5447576 0.84 TRPV1 (0.54) TRPV1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5436030 0.83 TRPV1 (0.49) TRPV1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5442775 0.83 TRPV1 (0.70) TRPV1

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 358/4885PPARG 68/4885RXFP1 291/4885

“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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