SCHEMBL3874906

SCHEMBL3874906

CC(C)(C)c1ccc(NC(=O)c2ccc(-n3nccc3C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
TRPV1 Q8NER1 7/20 0.61
LPL P06858 1/20 0.55
LIPC P11150 1/20 0.55
LIPE Q05469 1/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
HDAC3 O15379 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ORAI1 Q96D31 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NAMPT P43490 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50

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 0.91 KDM4E (0.65) KDM4ETRPV1ORAI1NPC1RAB9A
SCHEMBL3876449 0.83 RAB9A (0.61) KDM4EMAPTLMNAORAI1NPC1
SCHEMBL5697474 0.82 LPL (0.54) TRPV1LPLLIPCLIPEMAPT
SCHEMBL3876296 0.78 PTGS1 (0.60) KDM4ETRPV1ORAI1NPC1RAB9A
SCHEMBL7303163 0.76 HDAC3 (0.86) KDM4ETRPV1MAPTLMNAHDAC3
SCHEMBL3874529 0.75 KDM4E (0.59) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3871686 0.74 GCGR (0.59) KDM4ETRPV1MAPTLMNAHDAC3
SCHEMBL1687872 0.73 TRPV1 (0.73) KDM4ETRPV1HDAC3HDAC11HDAC8
SCHEMBL7316335 0.72 ORAI1 (0.83) TRPV1MAPTHDAC3HDAC8HDAC6
SCHEMBL1687868 0.72 TRPV1 (0.76) TRPV1MAPTHDAC3HDAC11HDAC8

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-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
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 KDM4E 3823/4885TRPV1 1/4885LPL 4281/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A KDM4E 3659/4885TRPV1 1/4885LPL 4332/4885

“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.