SCHEMBL1558058

SCHEMBL1558058

COc1ccc(C2(C#N)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 4/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.40
F10 P00742 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
OPRM1 P35372 1/20 0.38
NR1H4 Q96RI1 1/20 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
SCHEMBL1018321 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL11860514 0.83 KMT2A (0.64) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL1626522 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL22816520 0.81 MEN1 (0.48) POLBKMT2AMEN1CYP3A4CYP2D6
SCHEMBL3444680 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL1019336 0.80 ALDH1A1 (0.66) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL1558011 0.80 ALDH1A1 (0.38) ALDH1A1LMNACYP2D6NPC1RAB9A
SCHEMBL21874058 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL735822 0.79 OPRM1 (0.47) ALDH1A1POLBKMT2AMEN1GAA
SCHEMBL21874245 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
EP-2303846-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS Sanofi-Aventis (FR) 2011-04-06 EP disclosed
WO-2009156100-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
US-4329353-A ANTIEMETIC AND NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-05-11 US disclosed
EP-0035902-A1 1-(4-Aryl-cyclohexyl)piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-09-16 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 (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-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS ROCK1, MYLK, ROCK2 ALDH1A1 2997/4885KDM4E 2124/4885MAPT 698/4885

“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.