SCHEMBL3326526

SCHEMBL3326526

CC(C)(C)c1cccc2c1OCC[C@H]2N

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.41
PNMT P11086 1/20 0.33
CA2 P00918 1/20 0.33
ADRA2A P08913 4/20 0.33
ADRA2B P18089 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA2C P18825 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL430297 1.00 TRPV1 (0.41) TRPV1PNMTCA2ADRA2AADRA2B
SCHEMBL3322149 0.84 PNMT (0.46) TRPV1PNMT
SCHEMBL3322142 0.84 PNMT (0.46) TRPV1PNMT
SCHEMBL10593024 0.83 TRPV1 (0.37) TRPV1
SCHEMBL31316850 0.78 ADRA2A (0.50) ADRA2AADRA2BADRA1A
SCHEMBL14275635 0.78 ADRA2A (0.50) ADRA2AADRA2BADRA1A
SCHEMBL23976381 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA1AADRA2C
SCHEMBL1265342 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA1A
SCHEMBL1265344 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA1A
SCHEMBL1266132 0.75 ADRA2A (0.50) ADRA2AADRA2BADRA1A

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-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 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 (3 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-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885PNMT 1462/4885CA2 369/4885
US-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 TRPV1 1/4885PNMT 1821/4885CA2 554/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 TRPV1 1/4885PNMT 1565/4885CA2 383/4885

“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.