SCHEMBL472446

SCHEMBL472446

COc1cccc2c1C[C@H](O)CC2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.67
CHRM1 P11229 2/20 0.67
CHRM3 P20309 2/20 0.67
MTNR1A P48039 5/20 0.58
MTNR1B P49286 5/20 0.58
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
DRD4 P21917 1/20 0.56
CYP1A2 P05177 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 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
SCHEMBL3320783 0.88 DRD2 (0.68) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL10043011 0.88 DRD2 (0.68) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL3312782 0.88 DRD2 (0.68) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL24029258 0.86 DRD2 (0.54) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL4207562 0.82 CHRM2 (0.66) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL16233581 0.81 CHRM2 (0.64) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL20460429 0.81 CHRM2 (0.52) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL9345242 0.80 ADRA1A (0.62) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL8589055 0.80 CHRM3 (1.00) CHRM2CHRM1CHRM3DRD2DRD3
SCHEMBL4205695 0.80 CHRM3 (1.00) CHRM2CHRM1CHRM3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 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 (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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 CHRM2 200/4885CHRM1 199/4885CHRM3 273/4885

“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.