SCHEMBL4713772

SCHEMBL4713772

N[C@H]1CC[C@H](C(=O)N2Cc3ccc(CN4CCOCC4)cc3C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
LMNA P02545 1/20 0.46
ROCK2 O75116 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
LTA4H P09960 2/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4713777 1.00 NAMPT (0.46) NAMPTLMNAROCK2SMN1; SMN2NPC1
SCHEMBL4516661 0.81 HDAC6 (0.56) LMNASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4713771 0.79 GSK3B (0.43) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL14590634 0.78 HRH3 (0.52) NAMPTROCK2SMN1; SMN2NPC1RAB9A
SCHEMBL4711157 0.76 ERCC1 (0.45) NAMPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4711151 0.76 ERCC1 (0.45) NAMPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL13439632 0.75 KCNJ1 (0.48) NAMPTROCK2SMN1; SMN2NPC1RAB9A
SCHEMBL16634812 0.75 CYP2C19 (0.48) LMNASMN1; SMN2TSHRCYP2C19KDM4E
SCHEMBL30368214 0.73 PIK3CA (0.49) NAMPTROCK2SMN1; SMN2NPC1RAB9A
SCHEMBL25669120 0.73 PIK3CA (0.49) NAMPTROCK2SMN1; SMN2NPC1RAB9A

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
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 NAMPT 984/4885LMNA 2458/4885ROCK2 2219/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 NAMPT 1166/4885LMNA 2528/4885ROCK2 2215/4885

“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.