SCHEMBL567648

SCHEMBL567648

CC[C@@H](N)CNCCCC(O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
JAK3 P52333 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL567401 0.92 NOS1 (0.32) MEN1GAAKMT2AMAOAMAOB
SCHEMBL25353655 0.79 NOS1 (0.36) MEN1GAAKMT2ACA1CA2
SCHEMBL567296 0.77 NOS1 (0.36) MEN1GAAKMT2AMAOAMAOB
SCHEMBL7401423 0.76 MEN1 (0.44) MEN1GAAKMT2AMAOAMAOB
SCHEMBL567299 0.76 MAOA (0.47) MEN1GAAKMT2AMAOAMAOB
SCHEMBL6130687 0.74 MAOA (0.38) MEN1GAAKMT2AMAOAMAOB
SCHEMBL5949606 0.73 CA2 (0.46) CA1CA2CTSSCTSK
SCHEMBL9242626 0.73 GPR84 (0.42) MEN1GAAKMT2ACA1CA2
SCHEMBL2177004 0.72 CPB2 (0.38) MEN1GAAKMT2ANOS1NOS3
SCHEMBL31460393 0.72 GPR84 (0.52) CA1CA2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 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 (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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 MEN1 3295/4885GAA 4553/4885KMT2A 1007/4885

“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.