SCHEMBL3427864

SCHEMBL3427864

NC1CCN(C(=O)CF)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
CACNA1B Q00975 2/20 0.46
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM1A O60341 3/20 0.36
MAOA P21397 1/20 0.36
DPP4 P27487 3/20 0.35
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 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 SCHEMBL4112230 0.98 GNAI3 (0.54) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL25825398 0.88 KDM1A (0.47) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL2439450 0.80 GNAI3 (0.53) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL3968814 0.80 GNAI3 (0.53) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL11717 0.78 GNAI3 (0.61) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL4437201 0.78 GNAI3 (0.51) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL13673699 0.78 ALDH1A1 (0.64) GNAI3GNAO1GNAI1CACNA1BALDH1A1
Hydrochloric Acid SCHEMBL1062724 0.78 GNAI3 (0.56) GNAI3GNAO1GNAI1CACNA1BALDH1A1
SCHEMBL13663831 0.78 ALDH1A1 (0.64) ALDH1A1NPC1KDM4EMEN1LMNA
SCHEMBL3402651 0.78 GNAI3 (0.47) GNAI3GNAO1GNAI1CACNA1BALDH1A1

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
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US 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
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 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.