SCHEMBL3519977

SCHEMBL3519977

O=Cc1ccc2c(c1)C(OC1CCCCO1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM4 P08173 2/20 0.32
DRD2 P14416 2/20 0.32
HTR7 P34969 2/20 0.32
KDM4E B2RXH2 1/20 0.31
PDE4B Q07343 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL8382519 0.94 HSD11B1 (0.33) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL30789930 0.84 HSD11B1 (0.35) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL8481807 0.84 HSD11B1 (0.35) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL3517535 0.81 HTR2A (0.37) HPGDHSD11B1
SCHEMBL3518657 0.75 MEN1 (0.37) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8377336 0.74 SLC6A4 (0.38) HPGDHSD11B1
SCHEMBL6994885 0.71 IDO1 (0.50)
Benzaldehyde SCHEMBL5716511 0.70 ALDH1A1 (0.45) ALDH1A1MEN1GAAKMT2AKDM4E
SCHEMBL3359792 0.70 PDE4B (0.49) ALDH1A1HPGDKDM4EPDE4B
SCHEMBL5863923 0.69 PDE4B (0.47) ALDH1A1HPGDKDM4EPDE4B

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
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
US-7855201-B2 Morpholine carboxamide prokineticin receptor antagonists Merck Sharp & Dohme. Corp. (US) 2010-12-21 US disclosed
US-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-10 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-20090306076-A1 Morpholine Carboxamide Prokineticin Receptor Antagonists PROKR2, PROKR1, NTSR2 ALDH1A1 4629/4885MEN1 410/4885GAA 773/4885

“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.