SCHEMBL10246637

SCHEMBL10246637

NC1CCN(P)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.49
SLC6A3 Q01959 5/20 0.49
SLC6A4 P31645 4/20 0.49
CYP2D6 P10635 1/20 0.49
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.32
AADAT Q8N5Z0 3/20 0.32
GOT1 P17174 1/20 0.32
KYAT1 Q16773 1/20 0.32
KYAT3 Q6YP21 1/20 0.32
ACHE P22303 2/20 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
SCHEMBL29586069 0.77 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL431258 0.77 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL23346884 0.77 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
Hydrochloric Acid SCHEMBL15717047 0.76 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL20622379 0.75 ALDH1A1 (0.35) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL18761410 0.73 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
Hydrochloric Acid SCHEMBL15717188 0.72 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL432343 0.70 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL30574315 0.70 NOTUM (0.55) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL14275844 0.70 NOTUM (0.55) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 SLC6A2 968/4885SLC6A3 623/4885SLC6A4 701/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 SLC6A2 1014/4885SLC6A3 662/4885SLC6A4 743/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 SLC6A2 968/4885SLC6A3 623/4885SLC6A4 701/4885

“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.