SCHEMBL2324315

SCHEMBL2324315

COCCCNC(=O)C1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.63
GNAO1 P09471 1/20 0.63
GNAI1 P63096 1/20 0.63
CYP3A4 P08684 2/20 0.59
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL1438746 0.90 GNAI3 (0.58) GNAI3GNAO1GNAI1CYP3A4ALDH1A1
SCHEMBL2325698 0.86 GNAI3 (0.66) GNAI3GNAO1GNAI1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL21640532 0.83 CYP3A4 (0.55) GNAI3GNAO1GNAI1CYP3A4ALDH1A1
SCHEMBL22652025 0.83 NAAA (0.63) CYP3A4ALDH1A1KDM4EHPGDUSP2
SCHEMBL30807297 0.83 GNAI3 (0.58) GNAI3GNAO1GNAI1CYP3A4ALDH1A1
SCHEMBL2331949 0.82 REN (0.53) GNAI3GNAO1GNAI1CYP3A4ALDH1A1
SCHEMBL1438748 0.81 GNAI3 (0.84) GNAI3GNAO1GNAI1KDM4EGAA
Hydrochloric Acid SCHEMBL21640827 0.81 CYP3A4 (0.53) GNAI3GNAO1GNAI1CYP3A4ALDH1A1
SCHEMBL4555068 0.80 GNAI3 (0.94) GNAI3GNAO1GNAI1GAA
SCHEMBL2535622 0.80 GNAI3 (0.57) GNAI3GNAO1GNAI1CYP3A4ALDH1A1

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
EP-2352732-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER Merck Patent GmbH (DE) 2011-08-10 EP claimed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 US disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed
EP-1440071-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT 4? RECEPTOR MODULATORS Pfizer Japan Inc. (JP) 2004-07-28 EP disclosed
WO-2003035649-A1 IMIDAZOPYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-05-01 WO 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-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER ENPP2, PLA2G4A, PLA2G4B GNAI3 1577/4885GNAO1 1123/4885GNAI1 1416/4885

“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.