SCHEMBL11935360

SCHEMBL11935360

CC(C)CN1C(=O)c2ccc(NCCCCCN)cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
RAB9A P51151 8/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 7/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL11935580 0.86 POLB (0.43) ALDH1A1RAB9AKDM4EHPGDMEN1
SCHEMBL11935608 0.85 KDM4E (0.37) ALDH1A1RAB9AKDM4EHPGDHSD17B10
SCHEMBL11935610 0.84 ALDH1A1 (0.44) ALDH1A1RAB9AKDM4EHPGDMEN1
SCHEMBL13439077 0.83 ALDH1A1 (0.47) ALDH1A1RAB9AKDM4EHPGDMEN1
SCHEMBL11935277 0.83 APP (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13439076 0.82 ALDH1A1 (0.45) ALDH1A1RAB9AKDM4EHPGDMEN1
SCHEMBL17090239 0.80 ALDH1A1 (0.47) ALDH1A1RAB9AKDM4EHPGDMEN1
SCHEMBL11935407 0.79 ALDH1A1 (0.42) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL17090230 0.78 ALDH1A1 (0.46) ALDH1A1RAB9AKDM4EHPGDMEN1
SCHEMBL11935764 0.78 ALDH1A1 (0.54) ALDH1A1RAB9AHPGDMEN1KMT2A

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
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 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 (3 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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3735/4885RAB9A 3084/4885KDM4E 1429/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4013/4885RAB9A 1980/4885KDM4E 2311/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ALDH1A1 3361/4885RAB9A 2804/4885KDM4E 1334/4885

“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.