SCHEMBL377693

SCHEMBL377693

CNc1ccc(CN2CCN(C(=O)O)[C@@](C)(C(C)(C)C)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
NPY2R P49146 2/20 0.36
FAAH O00519 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL377425 1.00 RAB9A (0.40) RAB9ANPC1TP53POLBALDH1A1
SCHEMBL3565835 0.88 RAB9A (0.41) RAB9ANPC1TP53POLBALDH1A1
SCHEMBL377823 0.85 LMNA (0.44) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL377467 0.85 LMNA (0.44) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL1704763 0.84 CYP4F2 (0.38) ALDH1A1KDM4EFAAHLMNAMAPT
SCHEMBL377607 0.83 FAAH (0.37) ALDH1A1KDM4EHIF1AEPAS1FAAH
SCHEMBL377621 0.83 CNR2 (0.36) ALDH1A1KDM4E
SCHEMBL377528 0.82 KDM4E (0.53) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL377869 0.82 KDM4E (0.53) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL1997046 0.78 MEN1 (0.48) RAB9ANPC1POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS SEAL JONATHAN THOMAS 2011-11-10 US disclosed
US-8012981-B2 Benzylpiperazine derivatives as motilin receptor agonists GLAXO GROUP LIMITED (GB) 2011-09-06 US disclosed
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 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 (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-20110275815-A1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GPR68, GPR52, GPR88 RAB9A 1808/4885NPC1 711/4885TP53 4698/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 RAB9A 1540/4885NPC1 147/4885TP53 4123/4885

“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.