SCHEMBL4701544

SCHEMBL4701544

CCOC(=O)c1nccn1-c1ccc(C=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
PLAU P00749 1/20 0.40
TBXAS1 P24557 3/20 0.39
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 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
SCHEMBL30452306 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2F9F10
SCHEMBL22309899 0.84 GABRA2 (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20028039 0.83 GABRA2 (0.52) ALDH1A1MAPTSMN1; SMN2KDM4EF9
SCHEMBL30716670 0.83 CDC7 (0.45) ALDH1A1MEN1KMT2AF9F10
SCHEMBL22309820 0.83 PDE4D (0.51) MAPTSMN1; SMN2GABRA2GABRB2CYP1A2
SCHEMBL23884809 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29192833 0.74 RAB9A (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29077940 0.74 GABRA2 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL31325667 0.74 LMNA (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EF9
SCHEMBL4188670 0.74 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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
US-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GLAXO GROUP LIMITED 2008-12-18 US disclosed
EP-1902022-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2008-03-26 EP disclosed
WO-2007007018-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-18 WO 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-20080312209-A1 Piperazine Heteroaryl Derivatives as Gpr38 Agonists GPR68, GPR55, GPR88 ALDH1A1 2565/4885MEN1 3637/4885KMT2A 1633/4885

“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.