SCHEMBL3873327

SCHEMBL3873327

CC(C)(C)c1ccc(NC(=O)c2ccc(-c3cccc(Br)n3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.66
▸ HDAC8 Q9BY41 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58
▸ HDAC3 O15379 1/20 0.58
▸ HDAC11 Q96DB2 1/20 0.58
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NAMPT P43490 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ EPHB4 P54760 1/20 0.53
▸ TEK Q02763 1/20 0.53

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
SCHEMBL3873012 0.80 TRPV1 (1.00) TRPV1
SCHEMBL7303163 0.78 HDAC3 (0.86) TRPV1HDAC8HDAC6HDAC3HDAC11
SCHEMBL12044572 0.77 PTPN1 (0.70) TRPV1HDAC8HDAC6HDAC3HDAC11
SCHEMBL1982935 0.76 HDAC6 (0.78) TRPV1HDAC8HDAC6HDAC3HDAC11
SCHEMBL7296335 0.76 HDAC6 (0.78) TRPV1HDAC8HDAC6HDAC3HDAC11
SCHEMBL3875835 0.76 TRPV1 (0.76) TRPV1NAMPT
SCHEMBL3877900 0.75 TRPV1 (0.63) TRPV1HDAC8HDAC6HDAC3HDAC11
SCHEMBL21588672 0.75 SMN1; SMN2 (0.76) TRPV1HDAC8HDAC6HDAC3HDAC11
SCHEMBL675041 0.75 HDAC6 (1.00) TRPV1HDAC8HDAC6HDAC3HDAC11
SCHEMBL5934260 0.74 TRPV1 (0.68) TRPV1HDAC8HDAC6HDAC3HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673342-A2 AMIDES THAT INHIBIT VANILLOID RECEPROT SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-06-28 — — EP claimed
US-7037927-B2 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-05-02 — — US claimed
WO-2005040121-A2 AMIDES THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2005-05-06 — — WO 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 1/4885HDAC8 1216/4885HDAC6 1177/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A TRPV1 1/4885HDAC8 1243/4885HDAC6 1315/4885

“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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