SCHEMBL13368232

SCHEMBL13368232

CN1CCC(C(=O)NCCC(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
F2R P25116 1/20 0.46
GNAI3 P08754 2/20 0.46
GNAO1 P09471 2/20 0.46
GNAI1 P63096 2/20 0.46
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL15624803 0.87 ITGB3 (0.44) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL13621111 0.85 ITGB3 (0.60) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL7134815 0.84 KMT2A (0.45) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL13002620 0.83 GNAI3 (0.55) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL15624841 0.82 ITGB3 (0.45) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL15624763 0.82 GNAI3 (0.45) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL16103852 0.82 ITGB3 (0.45) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL2746616 0.81 HSD17B10 (0.45) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL12021613 0.81 KDM4E (0.55) GNAI3GNAO1GNAI1ALDH1A1HSD17B10
SCHEMBL9348841 0.81 LMNA (0.49) ITGB3ITGA2BF2RGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414327-B1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-19 EP disclosed
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 ITGB3 4410/4885ITGA2B 4468/4885F2R 763/4885

“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.