SCHEMBL19741745

SCHEMBL19741745

C[C@H](c1ccccc1)N1CCC[C@H](COCc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.44
LMNA P02545 1/20 0.39
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
AGTR2 P50052 1/20 0.37
TACR1 P25103 2/20 0.37
HSD11B1 P28845 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL19741746 1.00 ACE (0.44) ACELMNADPP4ALDH1A1HPGD
SCHEMBL17143980 1.00 ACE (0.44) ACELMNADPP4ALDH1A1HPGD
SCHEMBL17143978 1.00 ACE (0.44) ACELMNADPP4ALDH1A1HPGD
SCHEMBL17144390 0.93 CTSL (0.41) LMNAALDH1A1HPGDCTSLCTSB
SCHEMBL17144595 0.93 CTSL (0.41) LMNAALDH1A1HPGDCTSLCTSB
SCHEMBL19741667 0.91 TACR1 (0.40) ACELMNAALDH1A1TACR1HSD11B1
SCHEMBL19741669 0.91 TACR1 (0.40) ACELMNAALDH1A1TACR1HSD11B1
SCHEMBL19741670 0.91 TACR1 (0.40) ACELMNAALDH1A1TACR1HSD11B1
SCHEMBL29865958 0.84 TACR1 (0.41) ALDH1A1CTSLCTSBCTSKTACR1
SCHEMBL17145089 0.80 ACE (0.49) ACEALDH1A1HPGDHSD11B1CYP2D6

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 ACE 3020/4885LMNA 2625/4885DPP4 2797/4885

“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.