SCHEMBL3877900

SCHEMBL3877900

CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccon3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.63
▸ HDAC3 O15379 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ HDAC8 Q9BY41 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NAMPT P43490 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL7303163 0.81 HDAC3 (0.86) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL14082440 0.78 TRPV1 (0.70) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL3873012 0.77 TRPV1 (1.00) TRPV1
SCHEMBL5934260 0.77 TRPV1 (0.68) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL12044572 0.77 PTPN1 (0.70) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL3872412 0.76 TRPV1 (0.60) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL3875835 0.76 TRPV1 (0.76) TRPV1NAMPT
SCHEMBL5934533 0.76 TRPV1 (0.67) TRPV1
SCHEMBL3873327 0.75 TRPV1 (0.66) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL5934444 0.75 TRPV1 (0.66) TRPV1HDAC3HDAC11HDAC8HDAC6

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
US-7037927-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-05-02 — — 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
EP-1673342-A2 AMIDES THAT INHIBIT VANILLOID RECEPROT SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-06-28 — — EP 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
WO-2005040121-A2 AMIDES THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-05-06 — — WO 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 TRPV1 1/4885HDAC3 1833/4885HDAC11 935/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A TRPV1 1/4885HDAC3 1725/4885HDAC11 984/4885

“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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