SCHEMBL3402651

SCHEMBL3402651

NC1CCN(C(=O)CC(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
EPHX2 P34913 1/20 0.45
CACNA1B Q00975 2/20 0.43
JAK1 P23458 2/20 0.37
JAK3 P52333 2/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
CNR1 P21554 3/20 0.36
NAMPT P43490 2/20 0.35
AOC2 O75106 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RBP4 P02753 1/20 0.34
CNR2 P34972 2/20 0.34
ITGB3 P05106 1/20 0.33

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 SCHEMBL4111946 0.98 GNAI3 (0.50) GNAI3GNAO1GNAI1EPHX2CACNA1B
SCHEMBL30334337 0.81 DPP4 (0.44) EPHX2JAK1JAK3JAK2TYK2
SCHEMBL12385899 0.81 ALDH1A1 (0.58) EPHX2ALDH1A1NPC1
SCHEMBL11960570 0.81 GNAI3 (0.51) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL19195080 0.79 L3MBTL1 (0.50) EPHX2JAK1JAK3JAK2TYK2
SCHEMBL584795 0.79 GNAI3 (0.50) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL19502932 0.79 GNAI3 (0.50) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL12384790 0.78 CYP2D6 (0.46) EPHX2JAK1JAK3JAK2TYK2
SCHEMBL12424441 0.78 EPHX2 (0.43) GNAI3GNAO1GNAI1EPHX2ALDH1A1
SCHEMBL16095148 0.78 EPHX2 (0.43) GNAI3GNAO1GNAI1EPHX2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012054093-A2 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-26 WO disclosed
EP-2254666-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-12-01 EP disclosed
WO-2009112395-A1 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 WO disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B GNAI3 651/4885GNAO1 414/4885GNAI1 578/4885

“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.