SCHEMBL6960026

SCHEMBL6960026

CCOC(=O)C1CCN(CC2CO2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 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
SCHEMBL8356885 1.00 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL8355466 0.82 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL23038474 0.82 TMEM97 (0.51) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL378609 0.82 MAPT (0.57) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL8356716 0.80 MAPT (0.51) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL6990807 0.80 MAPT (0.62) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL15569388 0.80 MAPT (0.62) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL8552607 0.79 BCHE (0.35) ALDH1A1MAPTKMT2AHTR1ADRD2
SCHEMBL28776698 0.78 MAPT (0.55) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL4172495 0.77 MAPT (0.58) ALDH1A1MAPTKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865445-B1 3-AMINOETHYL-N-AMIDINO-2,5-DIHYDROPYRROLE DERIVATIVES HAVING ARGININE MIMETIC PROPERTIES AKZO NOBEL NV (NL) 2003-04-02 EP disclosed
US-20020026034-A1 3-AMINOETHYL-N-AMIDINO-2,5-DIHYDROPYRROLE DERIVATIVES HAVING ARGININE MIMETIC PROPERTIES BOEHRINGER MANNHEIM GMBH (DE) 2002-02-28 US disclosed
US-5972947-A ANTICOAGULANT, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, OSTEOPOROSIS, ANTITUMOR AGENT ROCHE DIAGNOSTICS GMBH (DE) 1999-10-26 US disclosed
US-5856309-A TREATING OSTEOPOROSIS, INFLAMMATION OR A DISEASE WHICH IS DUE TO A THROMBOEMBOLIC EVENT BOEHRINGER MANNHEIM GMBH (DE) 1999-01-05 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-20020026034-A1 3-AMINOETHYL-N-AMIDINO-2,5-DIHYDROPYRROLE DERIVATIVES HAVING ARGININE MIMETIC PROPERTIES ARG1, ODC1, ARG2 ALDH1A1 1378/4885MAPT 2092/4885KMT2A 3216/4885

“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.