SCHEMBL3876296

SCHEMBL3876296

O=C(Nc1ccc(C(F)(F)F)cn1)c1ccc(-n2nccc2C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.60
DEGS1 O15121 2/20 0.55
TRPV1 Q8NER1 1/20 0.54
HIF1A Q16665 1/20 0.53
EPAS1 Q99814 1/20 0.53
F10 P00742 1/20 0.53
KDM4E B2RXH2 1/20 0.49
EPHX2 P34913 1/20 0.48
SCN9A Q15858 2/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PTGES O14684 1/20 0.45
NTRK1 P04629 1/20 0.43
ORAI1 Q96D31 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
SCHEMBL3875037 0.83 KDM4E (0.65) PTGS1TRPV1HIF1AEPAS1KDM4E
SCHEMBL3874906 0.78 KDM4E (0.61) TRPV1KDM4ENPC1RAB9AORAI1
SCHEMBL17184836 0.76 PTGS1 (0.74) PTGS1DEGS1TRPV1HIF1AEPAS1
SCHEMBL17894101 0.76 PTGS1 (0.74) PTGS1DEGS1TRPV1HIF1AEPAS1
SCHEMBL30643217 0.76 PTGS1 (0.74) PTGS1DEGS1TRPV1HIF1AEPAS1
SCHEMBL3874529 0.74 KDM4E (0.59) KDM4ENPC1RAB9ANTRK1
SCHEMBL20480759 0.74 PTGS1 (0.71) PTGS1DEGS1TRPV1HIF1AEPAS1
SCHEMBL3876449 0.73 RAB9A (0.61) KDM4ENPC1RAB9AORAI1
SCHEMBL20284467 0.72 DEGS1 (1.00) PTGS1DEGS1TRPV1
SCHEMBL14082707 0.71 PTGS1 (0.63) PTGS1DEGS1TRPV1HIF1AEPAS1

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-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBVIE INC. 2006-06-08 US claimed
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-04-21 US claimed
US-7595332-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBOTT LABORATORIES (US) 2009-09-29 US disclosed
US-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) ABBVIE INC. 2006-06-08 US disclosed
US-7037927-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-05-02 US disclosed
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-04-21 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 (2 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-20060122231-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) TRPV1, OPRL1, AVPR2 PTGS1 126/4885DEGS1 1164/4885TRPV1 1/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A PTGS1 132/4885DEGS1 1351/4885TRPV1 1/4885

“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.