SCHEMBL3858089

SCHEMBL3858089

NC(=O)c1[c]ccc2oc(CN3CCCC3)nc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.35
PARP2 Q9UGN5 2/20 0.35
PARP3 Q9Y6F1 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
MAOA P21397 3/20 0.33
DRD2 P14416 1/20 0.33
SOS1 Q07889 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL18344236 0.79 HRH3 (0.39)
SCHEMBL18344216 0.78 HRH3 (0.40) KDM4EGAA
SCHEMBL3759146 0.77 HRH3 (0.33) KDM4E
SCHEMBL18344204 0.76 HRH3 (0.36)
SCHEMBL18344248 0.72 HRH3 (0.43)
SCHEMBL18344209 0.72
SCHEMBL2932415 0.72 ELANE (0.34) PARP1KDM4ERAB9AKMT2A
SCHEMBL18344124 0.72 HTR3A (0.42) PARP1KDM4E
SCHEMBL18344211 0.71 ALDH1A1 (0.35) RAB9A
SCHEMBL18344155 0.71 HTR6 (0.44) PARP1KDM4EGAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 PARP1 4541/4885PARP2 4395/4885PARP3 3759/4885

“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.