SCHEMBL15045822

SCHEMBL15045822

CC1(C)C[C@@H](N=[N+]=[N-])c2ccccc2O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.33
PFKFB3 Q16875 1/20 0.33
HTR2B P41595 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
OPRD1 P41143 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27696921 0.78 CTSD (0.33)
SCHEMBL3853435 0.76 TRPV1 (0.35) TRPV1PFKFB3HTR2BLMNATSHR
SCHEMBL23746634 0.72 ALDH1A1 (0.42) TRPV1LMNAHTTOPRD1TSHR
SCHEMBL24075724 0.72 ALDH1A1 (0.42) TRPV1LMNAHTTOPRD1TSHR
SCHEMBL13257631 0.72 ALDH1A1 (0.42) TRPV1LMNAHTTOPRD1TSHR
SCHEMBL18791130 0.71 IDO1 (0.47) LMNASMN1; SMN2NPSR1KMT2A
SCHEMBL15021653 0.70 MEN1 (0.43) TRPV1HTR2BLMNAHTTKMT2A
SCHEMBL1237664 0.70 TRPV1 (0.37) TRPV1HTR2BLMNAHTTOPRD1
SCHEMBL22997112 0.70 TRPV1 (0.37) TRPV1HTR2BLMNAHTTOPRD1
SCHEMBL3580439 0.70 MEN1 (0.43) TRPV1HTR2BLMNAHTTKMT2A

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
US-8969325-B2 TRPV1 antagonists ABBVIE INC. (US) 2015-03-03 US disclosed
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
US-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 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-20130172334-A1 TRPV1 ANTAGONISTS TRPV1, MRGPRX1, MRGPRX4 TRPV1 1/4885PFKFB3 3294/4885HTR2B 236/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 TRPV1 1/4885PFKFB3 2824/4885HTR2B 181/4885

“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.