SCHEMBL19741674

SCHEMBL19741674

C[C@H](c1ccccc1)N1CC[C@H](CN)C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 2/20 0.42
MC4R P32245 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
ACE P12821 1/20 0.40
CCR5 P51681 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL19741675 1.00 CYP2D6 (0.46) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL17144598 1.00 CYP2D6 (0.46) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL17144597 1.00 CYP2D6 (0.46) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL19741732 0.92 ACE (0.49) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL19741718 0.92 ACE (0.49) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL19741719 0.92 ACE (0.49) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL17145089 0.92 ACE (0.49) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL3867655 0.85 KMT2A (0.46) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL17144501 0.85 KMT2A (0.49) CYP2D6KMT2AALDH1A1HPGDMAPK1
SCHEMBL3866850 0.85 KMT2A (0.46) CYP2D6KMT2AALDH1A1HPGDMAPK1

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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A CYP2D6 1476/4885KMT2A 44/4885ALDH1A1 1473/4885

“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.