SCHEMBL1542772

SCHEMBL1542772

COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4ccccc4)nc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 1.00
KMT2A Q03164 5/20 0.70
POLB P06746 2/20 0.70
ACHE P22303 1/20 0.65
FAAH O00519 2/20 0.64
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
MEN1 O00255 4/20 0.61
CDK4 P11802 1/20 0.61
CCND1 P24385 1/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
MTNR1A P48039 2/20 0.60
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A1 P04798 1/20 0.59
MPO P05164 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59

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
SCHEMBL9936354 0.88 TRPV1 (1.00) TRPV1KMT2APOLBACHEFAAH
SCHEMBL6919747 0.85 TRPV1 (0.88) TRPV1KMT2APOLBACHEFAAH
SCHEMBL32678271 0.81 TRPV1 (0.70) TRPV1KMT2APOLBACHEFAAH
SCHEMBL32678273 0.81 TRPV1 (0.70) TRPV1KMT2APOLBACHEFAAH
SCHEMBL28663007 0.80 KMT2A (0.87) TRPV1KMT2APOLBACHERAB9A
SCHEMBL7023429 0.80 TRPV1 (0.77) TRPV1KMT2APOLBACHEFAAH
SCHEMBL5212692 0.78 KMT2A (0.74) TRPV1KMT2APOLBRAB9AMEN1
SCHEMBL23644935 0.78 MTNR1A (0.83) TRPV1KMT2APOLBFAAHRAB9A
SCHEMBL798092 0.78 KMT2A (0.80) TRPV1KMT2APOLBRAB9ANPC1
SCHEMBL797771 0.78 TRPV1 (0.68) TRPV1KMT2APOLBACHEFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US claimed
JP-2011524894-A 2011-09-08 JP claimed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP claimed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO claimed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO 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 (1 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 TRPV1 116/4885KMT2A 3206/4885POLB 1927/4885

“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.