SCHEMBL1983138

SCHEMBL1983138

COC(=O)n1ncc2c(NC(=O)NC3Cc4cc(C(C)(C)C)ccc4N(Cc4ccccc4)C3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.49
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
TEAD1 P28347 1/20 0.38

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
SCHEMBL1981518 0.85 MEN1 (0.50) TRPV1MTNR1AMTNR1BMEN1ALDH1A1
SCHEMBL1980206 0.85 TEAD1 (0.57) TRPV1MTNR1AMTNR1BMEN1ALDH1A1
SCHEMBL1982144 0.83 TRPV1 (0.42) TRPV1MTNR1AMTNR1BMEN1ALDH1A1
SCHEMBL1863048 0.83 TRPV1 (0.63) TRPV1TRPV4
SCHEMBL1982097 0.83 TRPV1 (0.70) TRPV1TRPV4
SCHEMBL1169777 0.81 TRPV1 (0.62) TRPV1TRPV4
SCHEMBL1169779 0.81 TRPV1 (0.62) TRPV1TRPV4
SCHEMBL1981019 0.80 TRPV1 (0.41) TRPV1TEAD1
SCHEMBL16494477 0.78 ALDH1A1 (0.52) TRPV1MTNR1AMTNR1BMEN1ALDH1A1
SCHEMBL1858431 0.76 TRPV1 (0.65) TRPV1TRPV4

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-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-23 US claimed
US-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. 2006-06-15 US claimed
US-8440691-B2 Tetrahydroquinolinyl compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. (US) 2013-05-14 US disclosed
EP-2527339-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof Abbott Laboratories (US) 2012-11-28 EP disclosed
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-7812019-B2 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBOTT LABORATORIES (US) 2010-10-12 US disclosed
US-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. 2006-06-15 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-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof CACNA1E, CACNA1D, CACNA1S TRPV1 24/4885MTNR1A 88/4885MTNR1B 154/4885
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF CACNA1E, CACNA1D, CACNA1S TRPV1 24/4885MTNR1A 88/4885MTNR1B 154/4885

“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.