SCHEMBL3676521

SCHEMBL3676521

Cc1cc(O)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.67
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
MAPT P10636 3/20 0.66
HTT P42858 3/20 0.66
RAB9A P51151 2/20 0.66
GRIK1 P39086 4/20 0.62
BAZ1A Q9NRL2 1/20 0.61
KDR P35968 1/20 0.60
IDH1 O75874 2/20 0.59
NTRK1 P04629 1/20 0.59
CDK19 Q9BWU1 1/20 0.59
ALDH1A1 P00352 1/20 0.57
LMNA P02545 2/20 0.56
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL6371123 0.90 TRPV1 (0.67) TRPV1MEN1KMT2AMAPTHTT
SCHEMBL13852827 0.87 MEN1 (0.62) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL1463622 0.87 TRPV1 (0.70) TRPV1MEN1KMT2AMAPTHTT
SCHEMBL6376793 0.86 MEN1 (0.60) TRPV1MEN1KMT2AMAPTHTT
SCHEMBL17079632 0.85 DDX3X (0.73) TRPV1MEN1KMT2AMAPTHTT
SCHEMBL6370948 0.85 TRPV1 (0.64) TRPV1MEN1KMT2AMAPTHTT
SCHEMBL6376812 0.85 KMT2A (0.79) TRPV1MEN1KMT2AMAPTHTT
SCHEMBL6370648 0.85 MAPT (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL1463509 0.85 GRIK1 (0.77) TRPV1MEN1KMT2AMAPTHTT
SCHEMBL26697304 0.85 KDR (0.74) TRPV1MEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US claimed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US claimed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO claimed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 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 (6 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TRPV1 159/4885MEN1 2842/4885KMT2A 2962/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TRPV1 159/4885MEN1 2842/4885KMT2A 2962/4885
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 TRPV1 623/4885MEN1 4874/4885KMT2A 716/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 TRPV1 159/4885MEN1 2842/4885KMT2A 2962/4885
US-20070142450-A1 Novel urea derivatives and their medical use ACHE, NMUR1, NMUR2 TRPV1 261/4885MEN1 4363/4885KMT2A 2607/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 TRPV1 196/4885MEN1 3930/4885KMT2A 2935/4885

“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.