SCHEMBL14950751

SCHEMBL14950751

FC1(c2ncccc2Cl)CCN(Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.52
HSD11B1 P28845 1/20 0.33
CNR2 P34972 1/20 0.32
PKLR P30613 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
P2RX7 Q99572 1/20 0.30
SMO Q99835 1/20 0.30
KDM4E B2RXH2 1/20 0.30
S1PR4 O95977 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
S1PR1 P21453 1/20 0.30
AGTR1 P30556 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14950683 0.81 PKLR (0.44) TRPV1PKLRKMT2AMEN1KDM4E
SCHEMBL12178980 0.79 TRPV1 (0.44) TRPV1KMT2AMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL14936197 0.77 TRPV1 (0.44) TRPV1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2689538 0.77 TRPV1 (0.46) TRPV1HSD11B1KMT2AMEN1P2RX7
SCHEMBL15312400 0.77 TRPV1 (0.63) TRPV1ALDH1A1SMN1; SMN2
SCHEMBL2689390 0.75 TRPV1 (0.42) TRPV1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28758487 0.75 TRPV1 (0.70) TRPV1
SCHEMBL12178960 0.74 TRPV1 (0.57) TRPV1KMT2AMEN1
SCHEMBL20411718 0.72 TRPV1 (0.79) TRPV1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL14945292 0.71 TRPV1 (0.76) TRPV1SMN1; SMN2

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-9834549-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]OCT-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2017-12-05 US disclosed
US-20160251346-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-09-01 US disclosed
US-9365564-B2 3,3-disubstituted-(8-aza-bicyclo[3.2.1]oct-8-yl)-[5-(1H-pyrazol-4-yl)-thiophen-3-yl]-methanones as inhibitors of 11 (β)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2016-06-14 US disclosed
EP-2563780-B1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11(BETA)-HSD1 UNIV EDINBURGH (GB) 2015-05-06 EP disclosed
US-20130123268-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 THE UNIVERSITY OF EDINBURGH (GB) 2013-05-16 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-20160251346-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 HSD11B1, HSD3B1, HSD17B1 TRPV1 3887/4885HSD11B1 1/4885CNR2 3007/4885
US-20130123268-A1 3,3-DISUBSTITUTED-(8-AZA-BICYCLO[3.2.1]OCT-8-YL)-[5-(1H-PYRAZOL-4-YL)-THIOPHEN-3-YL]-METHANONES AS INHIBITORS OF 11 (BETA)-HSD1 HSD11B1, HSD3B1, HSD17B1 TRPV1 3887/4885HSD11B1 1/4885CNR2 3007/4885

“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.