SCHEMBL9692474

SCHEMBL9692474

NCC1COc2ccc(F)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
MTNR1A P48039 2/20 0.39
MALT1 Q9UDY8 1/20 0.38
CA2 P00918 1/20 0.38
ALOX5 P09917 1/20 0.38
ROCK2 O75116 4/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CYP19A1 P11511 1/20 0.35
RIPK1 Q13546 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
Hydrochloric Acid SCHEMBL9692614 0.98 TRPV1 (0.45) TRPV1MTNR1AMALT1CA2ALOX5
SCHEMBL16225128 0.81 HRH4 (0.40) MTNR1ACA2ALOX5ROCK2HTR2A
SCHEMBL21811008 0.78 ROCK2 (0.39) TRPV1MALT1CA2ROCK2CYP19A1
SCHEMBL30937652 0.78 ROCK2 (0.39) TRPV1MALT1CA2ROCK2CYP19A1
SCHEMBL5227854 0.77 MTNR1A (0.63) MTNR1AALOX5
Hydrochloric Acid SCHEMBL21810886 0.77 ROCK2 (0.38) TRPV1MALT1CA2ROCK2CYP19A1
SCHEMBL716596 0.76 SIGMAR1 (0.52) MALT1CA2
Hydrochloric Acid SCHEMBL9692517 0.75 SIGMAR1 (0.51) MALT1CA2
SCHEMBL16303421 0.75 MALT1 (0.40) TRPV1MALT1ROCK2CYP19A1RIPK1
Hydrochloric Acid SCHEMBL31621993 0.75 SIGMAR1 (0.51) MALT1CA2

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 9 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-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-20130172334-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-07-04 US disclosed
WO-2013096223-A1 TRPV1 ANTAGONISTS ABBVIE INC. (US) 2013-06-27 WO disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 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 1/4885MTNR1A 36/4885MALT1 901/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 TRPV1 1/4885MTNR1A 40/4885MALT1 1040/4885

“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.