SCHEMBL10135645

SCHEMBL10135645

CC1CCN(C(=O)OC(C)(C)C)CCN1Cc1ccc2cnccc2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.47
DYRK1A Q13627 1/20 0.44
NAMPT P43490 2/20 0.43
P2RX7 Q99572 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL10135761 0.94 GPR119 (0.46) GPR119DYRK1ANAMPT
SCHEMBL10135789 0.94 GPR119 (0.43) GPR119DYRK1ANAMPTP2RX7TP53
SCHEMBL10135769 0.94 GPR119 (0.43) GPR119DYRK1ANAMPTP2RX7TP53
SCHEMBL10135796 0.92 GPR119 (0.49) GPR119DYRK1ANAMPT
SCHEMBL10135625 0.91 GPR119 (0.50) GPR119NAMPT
SCHEMBL10135749 0.86 GPR119 (0.47) GPR119NAMPTP2RX7
SCHEMBL10135633 0.86 GPR119 (0.47) GPR119NAMPT
SCHEMBL10135754 0.86 GPR119 (0.47) GPR119NAMPTP2RX7
SCHEMBL10135623 0.86 GPR119 (0.47) GPR119NAMPT
SCHEMBL16448954 0.86 GPR119 (0.47) GPR119NAMPTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US 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 GPR119 2496/4885DYRK1A 2121/4885NAMPT 2732/4885

“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.