SCHEMBL12539722

SCHEMBL12539722

CC(=O)N[C@@H]1C[C@H](c2ccccc2)[C@@H]2C[C@@H]21

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
TRPV1 Q8NER1 1/20 0.49
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
KDM1A O60341 12/20 0.47
MAOB P27338 4/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CNR1 P21554 1/20 0.43
MAOA P21397 1/20 0.43
EPHX2 P34913 1/20 0.43
HDAC4 P56524 1/20 0.42

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
SCHEMBL12539724 1.00 SMN1; SMN2 (0.76) SMN1; SMN2NPSR1TRPV1MTNR1AMTNR1B
SCHEMBL14544486 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL13794162 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL1197466 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL862934 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL25021708 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL1600902 0.86 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
Hydrochloric Acid SCHEMBL28254537 0.85 SMN1; SMN2 (0.96) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL294182 0.75 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A
SCHEMBL12269958 0.75 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1MTNR1AMTNR1BKDM1A

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-8802711-B2 TRPV1 antagonists ABBVIE INC. (US) 2014-08-12 US disclosed
EP-2688866-A1 TRPV1 ANTAGONISTS AbbVie Inc. (US) 2014-01-29 EP disclosed
WO-2012134943-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2012-10-04 WO disclosed
US-20120245163-A1 TRPV1 Antagonists ABBOTT LABORATORIES (US) 2012-09-27 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-20120245163-A1 TRPV1 Antagonists TRPV1, TRPV3, TRPV6 SMN1; SMN2 2907/4885NPSR1 153/4885TRPV1 1/4885

“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.