SCHEMBL4870186

SCHEMBL4870186

[C-]#[N+]CC(=O)N1CCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
LIPE Q05469 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM5 P41594 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31

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
SCHEMBL4219284 0.89 DPP4 (0.41) ALDH1A1NPC1CHRM2CHRM4CHRM1
SCHEMBL4219290 0.89 DPP4 (0.41) ALDH1A1NPC1CHRM2CHRM4CHRM1
SCHEMBL12436971 0.79 ALDH1A1 (0.38) ALDH1A1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL295163 0.79 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL4215582 0.77 DPP4 (0.41) ALDH1A1NPC1DPP4DPP7
SCHEMBL4211174 0.77 DPP4 (0.41) ALDH1A1NPC1DPP4DPP7
SCHEMBL4211177 0.77 DPP4 (0.41) ALDH1A1NPC1DPP4DPP7
SCHEMBL2696686 0.77 ALDH1A1 (0.48) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL4164572 0.77 ALDH1A1 (0.41) ALDH1A1NPC1CHRM2CHRM4CHRM1
SCHEMBL21159869 0.77 ALDH1A1 (0.41) ALDH1A1NPC1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2008-02-28 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-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity SERPINC1, TFPI, F11 ALDH1A1 2230/4885NPC1 1771/4885CHRM2 4258/4885

“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.