SCHEMBL10135799

SCHEMBL10135799

NCC(=O)N1CCCN(Cc2ccc3cnccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
P2RX7 Q99572 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
LTA4H P09960 1/20 0.43
CCR3 P51677 1/20 0.43
CYP19A1 P11511 1/20 0.43

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 0.81 GPR119 (0.47) MEN1KMT2ALTA4H
SCHEMBL30824508 0.80 CYP19A1 (0.57) MEN1KMT2AALDH1A1LTA4HCYP19A1
SCHEMBL10135802 0.80 PRMT3 (0.43) PRMT3MEN1KMT2AKDM4ECCR3
SCHEMBL10135798 0.80 PRMT3 (0.52) PRMT3MEN1KMT2AP2RX7LTA4H
SCHEMBL10135662 0.79 TBK1 (0.48) MEN1KMT2ALTA4H
SCHEMBL10135806 0.78 PRMT3 (0.43) PRMT3MEN1KMT2AKDM4EALDH1A1
SCHEMBL10167871 0.78 PRMT3 (0.49) PRMT3
SCHEMBL566185 0.76 ATM (0.53) PRMT3MEN1KMT2AKDM4EALDH1A1
SCHEMBL10135592 0.76 GPR119 (0.50) MEN1KMT2ALTA4H
Hydrochloric Acid SCHEMBL567277 0.75 ATM (0.52) PRMT3MEN1KMT2AKDM4EALDH1A1

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 237/4885MEN1 3295/4885KMT2A 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.