SCHEMBL1980206

SCHEMBL1980206

COC(=O)n1ncc2c(NC(=O)NC3Cc4ccccc4N(Cc4cccc(C(F)(F)F)c4)C3)cccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 3/20 0.57
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TRPV1 Q8NER1 11/20 0.39
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
KCNQ2 O43526 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR1 P32246 1/20 0.37

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
SCHEMBL27762711 0.89 TEAD1 (0.56) TEAD1MTNR1AMTNR1BTRPV1UBE2M
SCHEMBL27762716 0.87 TEAD1 (0.57) TEAD1MTNR1AMTNR1BTRPV1UBE2M
SCHEMBL1983138 0.85 TRPV1 (0.49) TEAD1MTNR1AMTNR1BTRPV1MEN1
SCHEMBL1981019 0.84 TRPV1 (0.41) TEAD1TRPV1
SCHEMBL1981518 0.84 MEN1 (0.50) MTNR1AMTNR1BTRPV1MEN1ALDH1A1
SCHEMBL1982144 0.84 TRPV1 (0.42) TEAD1MTNR1AMTNR1BTRPV1MEN1
SCHEMBL1982648 0.83 TEAD1 (0.61) TEAD1TRPV1
Acetic Acid SCHEMBL27762713 0.82 TEAD1 (0.58) TEAD1TRPV1
SCHEMBL1982250 0.79 MTNR1A (0.46) MTNR1AMTNR1BTRPV1CCR1
SCHEMBL1981128 0.78 TRPV1 (0.38) TRPV1

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
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-23 US claimed
EP-1844038-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-17 EP claimed
WO-2006065484-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-22 WO 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 TEAD1 4092/4885MTNR1A 88/4885MTNR1B 154/4885
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF CACNA1E, CACNA1D, CACNA1S TEAD1 4092/4885MTNR1A 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.