SCHEMBL20514014

SCHEMBL20514014

CN(C)CCOc1ccccc1CC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.56
DRD2 P14416 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
DRD5 P21918 1/20 0.56
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.51
SLC1A5 Q15758 4/20 0.48
HTR7 P34969 2/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47

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
SCHEMBL18342619 1.00 HRH1 (0.56) HRH1DRD2DRD1DRD4DRD5
SCHEMBL20513849 0.93 HRH1 (0.57) HRH1DRD2DRD1DRD4DRD5
SCHEMBL18342650 0.93 HRH1 (0.57) HRH1DRD2DRD1DRD4DRD5
SCHEMBL31734855 0.83 HPGD (0.53) KDM4ESMN1; SMN2LMNASLC1A5NOS3
SCHEMBL13957565 0.81 NOS3 (0.52) KDM4EALDH1A1LMNASLC1A5HTR7
SCHEMBL20514152 0.81 NOS3 (0.47) KDM4ESMN1; SMN2LMNASLC1A5NOS3
SCHEMBL18342664 0.81 NOS3 (0.47) KDM4ESMN1; SMN2LMNASLC1A5NOS3
SCHEMBL18342645 0.81 ALPI (0.54) KDM4ELMNASLC1A5NOS3NOS1
Hydrochloric Acid SCHEMBL20514000 0.80 ALPI (0.53) SMN1; SMN2SLC1A5NOS3NOS1NOS2
SCHEMBL20513823 0.80 ALPI (0.53) KDM4ELMNANOS3NOS1NOS2

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
CN-107709334-B Novel amino acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-04-13 CN disclosed
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-10-29 US disclosed
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
EP-3313850-B1 NEW AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-10-03 EP 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 (2 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-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, ARG2, ANXA5 HRH1 519/4885DRD2 951/4885DRD1 1303/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 HRH1 519/4885DRD2 951/4885DRD1 1303/4885

“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.