SCHEMBL1979915

SCHEMBL1979915

O=C(NCC1CCc2ccccc2N1CCc1ccccc1)Nc1cccc2cnccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.58
TRPV1 Q8NER1 15/20 0.58
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GALR3 O60755 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NR2F2 P24468 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1981077 0.95 TRPV1 (0.56) MTNR1ATRPV1
SCHEMBL1981389 0.92 MTNR1A (0.57) MTNR1ATRPV1
SCHEMBL1982016 0.83 MTNR1A (0.61) MTNR1ATRPV1
SCHEMBL5553170 0.83 MTNR1A (0.58) MTNR1ATRPV1
SCHEMBL27762610 0.81 MTNR1A (0.56) MTNR1ATRPV1
Acetic Acid SCHEMBL27762606 0.81 MTNR1A (0.63) MTNR1ATRPV1
SCHEMBL1981918 0.81 MTNR1A (0.57) MTNR1ATRPV1
SCHEMBL27762605 0.80 MTNR1A (0.58) MTNR1ATRPV1
SCHEMBL1980204 0.79 MTNR1A (0.57) MTNR1ATRPV1
SCHEMBL5547623 0.78 MTNR1A (0.54) MTNR1ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440691-B2 Tetrahydroquinolinyl compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. (US) 2013-05-14 US claimed
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 MTNR1A 88/4885TRPV1 24/4885KDM4E 2690/4885
US-20110152250-A1 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF CACNA1E, CACNA1D, CACNA1S MTNR1A 88/4885TRPV1 24/4885KDM4E 2690/4885

“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.