SCHEMBL3872412

SCHEMBL3872412

CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncco3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 11/20 0.60
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HDAC3 O15379 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL17109832 0.87 HDAC8 (0.58) TRPV1KDM4ECYP2C9HPGDCYP2C19
SCHEMBL10114612 0.84 TRPV1 (0.46) TRPV1
SCHEMBL13222357 0.82 LTA4H (0.50) KDM4EHPGDKMT2A
SCHEMBL12882418 0.80 LMNA (0.45) TRPV1KDM4EMEN1HPGDKMT2A
SCHEMBL3875835 0.80 TRPV1 (0.76) TRPV1
SCHEMBL7303163 0.78 HDAC3 (0.86) TRPV1KDM4EMEN1CYP1A2CYP2C9
SCHEMBL5934260 0.78 TRPV1 (0.68) TRPV1KDM4EHDAC3HDAC11HDAC8
SCHEMBL22983004 0.77 RAB9A (0.61) KDM4EMEN1CYP1A2HPGDCYP2C19
SCHEMBL3877900 0.76 TRPV1 (0.63) TRPV1KDM4EMEN1CYP1A2CYP2C9
SCHEMBL28723922 0.76 HDAC4 (0.50) KDM4ECYP2C9HPGDCYP2C19

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 1/4885KDM4E 3823/4885MEN1 4791/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A TRPV1 1/4885KDM4E 3659/4885MEN1 4787/4885

“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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