SCHEMBL10135798

SCHEMBL10135798

CC(C)(C)OC(=O)NCC(=O)N1CCCN(Cc2ccc3cnccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 9/20 0.52
SIGMAR1 Q99720 1/20 0.48
P2RX7 Q99572 2/20 0.47
ROCK2 O75116 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 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
SCHEMBL10135594 0.86 GPR119 (0.47) MEN1KMT2ALTA4H
SCHEMBL10135800 0.84 PRMT3 (0.47) PRMT3SIGMAR1
SCHEMBL10135662 0.84 TBK1 (0.48) MEN1KMT2ALTA4H
SCHEMBL10135807 0.83 PRMT3 (0.47) PRMT3SIGMAR1
SCHEMBL10135592 0.82 GPR119 (0.50) MEN1KMT2ALTA4H
SCHEMBL567446 0.81 PRMT3 (0.53) PRMT3ROCK2MEN1KMT2A
SCHEMBL1306785 0.80 SIGMAR1 (0.61) SIGMAR1P2RX7
SCHEMBL10135799 0.80 PRMT3 (0.49) PRMT3P2RX7MEN1KMT2ALTA4H
SCHEMBL10135596 0.78 MCHR1 (0.50) SIGMAR1LTA4H
SCHEMBL1222005 0.75 SIGMAR1 (0.76) SIGMAR1MEN1KMT2A

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 PRMT3 237/4885SIGMAR1 12/4885P2RX7 3337/4885

“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.