SCHEMBL3872500

SCHEMBL3872500

COC(=O)N(c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.65
RAB9A P51151 4/20 0.61
NPC1 O15118 2/20 0.61
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
GALR3 O60755 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TRPV1 Q8NER1 2/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL6103793 0.90 NAMPT (0.60) NAMPTRAB9ANPC1KMT2AMEN1
SCHEMBL13167592 0.78 NAMPT (0.82) NAMPTRAB9ANPC1KMT2AMEN1
SCHEMBL7302329 0.78 RAB9A (0.76) NAMPTRAB9ANPC1KMT2AMEN1
SCHEMBL3872792 0.77 NAMPT (0.78) NAMPTRAB9ANPC1KMT2AMEN1
SCHEMBL27719797 0.75 RAB9A (0.55) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL1687872 0.73 TRPV1 (0.73) NAMPTRAB9ANPC1KMT2AMEN1
SCHEMBL7303163 0.72 HDAC3 (0.86) NAMPTRAB9ANPC1KMT2AMEN1
SCHEMBL7304059 0.71 HDAC3 (0.69) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9694595 0.71 HDAC3 (0.69) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12042503 0.71 KDM4E (0.76) NAMPTRAB9ANPC1KMT2ASMN1; SMN2

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 9 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
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 NAMPT 1428/4885RAB9A 2621/4885NPC1 4042/4885
US-20050085512-A1 Amides that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, AVPR1A NAMPT 1403/4885RAB9A 3012/4885NPC1 3942/4885

“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.