SCHEMBL2396813

SCHEMBL2396813

CCN(C(=O)C(/C(=C\C(=O)O)C(=O)O)C1CCN(C)CC1)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOD2 Q9HC29 1/20 0.38
GHSR Q92847 2/20 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
SCHEMBL1935963 0.90 CACNA2D1 (0.32) KDM4EPOLB
SCHEMBL1936263 0.88 CACNA2D1 (0.38) CYP3A4GHSR
SCHEMBL2396774 0.85 OPRM1 (0.36) HTTKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL2394311 0.85 NOS3 (0.34) KDM4E
SCHEMBL1936313 0.85 NOS3 (0.32) KDM4E
SCHEMBL1936656 0.85 HTR2A (0.34) HTTKDM4EALDH1A1LMNATSHR
SCHEMBL1935981 0.85 HTR2A (0.36) CYP3A4KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL1937052 0.83 NOS3 (0.32) KDM4E
SCHEMBL1934766 0.83 HTR1D (0.37) HTTKMT2AKDM4EALDH1A1GAA
SCHEMBL1936090 0.80 TP53 (0.35) CCR5KDM4EALDH1A1

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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2011-09-01 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-20110212997-A1 PIPERIDINE-4-ACETAMIDE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 CCR5 2539/4885HTT 363/4885CYP1A2 212/4885

“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.