SCHEMBL3837620

SCHEMBL3837620

COc1ccc(C(=O)CN2CCN(CCC(O)c3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.67
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
MCHR1 Q99705 1/20 0.56
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ADRB1 P08588 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2B P41595 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
TP53 P04637 1/20 0.52
KDR P35968 1/20 0.52

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
Hydrochloric Acid SCHEMBL4811673 0.99 HTR1A (0.66) HTR1AALDH1A1KDM4ELMNAMCHR1
SCHEMBL3838003 0.88 ALDH1A1 (0.61) HTR1AALDH1A1KDM4ELMNASLC6A4
Hydrochloric Acid SCHEMBL4875943 0.87 ALDH1A1 (0.60) HTR1AALDH1A1KDM4ELMNASLC6A4
SCHEMBL4874455 0.84 ALDH1A1 (0.76) HTR1AALDH1A1KDM4ELMNAMEN1
SCHEMBL29110683 0.76 L3MBTL1 (0.66) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL20382528 0.76 HTR1A (0.65) HTR1AALDH1A1KDM4ELMNASLC6A4
SCHEMBL13342872 0.76 HTR1A (0.65) HTR1AALDH1A1KDM4ELMNASLC6A4
SCHEMBL8106834 0.76 HTR1A (0.65) HTR1AALDH1A1KDM4ELMNASLC6A4
SCHEMBL15935698 0.75 ALDH1A1 (0.94) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4501968 0.75 MEN1 (0.58) HTR1AALDH1A1KDM4ELMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553092-B1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT SHANGHAI INST PHARM INDUSTRY (CN) 2009-11-04 EP claimed
US-7332495-B2 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2008-02-19 US claimed
US-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2006-07-06 US claimed

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-20060148811-A1 Aralkyl-ketone piperazine derivatives and their uses as new antalgic or ataractic agent AAK1, KCNJ1, KHK HTR1A 1854/4885ALDH1A1 387/4885KDM4E 1525/4885

“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.