SCHEMBL3517535

SCHEMBL3517535

Brc1ccc2c(c1)C(OC1CCCCO1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HSD11B1 P28845 1/20 0.34
SLC6A4 P31645 1/20 0.33
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PDE1B Q01064 1/20 0.31
IDO1 P14902 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL8377336 0.93 SLC6A4 (0.38) HTR2AHTR2CHTR2BHSD11B1SLC6A4
SCHEMBL8481056 0.83 HSD11B1 (0.39) HSD11B1SLC6A4CA1CA2KDM4C
SCHEMBL3519977 0.81 ALDH1A1 (0.34) HSD11B1HPGD
SCHEMBL3518657 0.76 MEN1 (0.37) HTT
SCHEMBL8382519 0.74 HSD11B1 (0.33) HSD11B1HPGD
SCHEMBL6994885 0.73 IDO1 (0.50) IDO1KDM4C
SCHEMBL18153009 0.73 KDM4C (0.34) KDM4C
SCHEMBL15779251 0.73 ESR2 (0.38)
SCHEMBL10512796 0.71 KEAP1 (0.39) KDM4C
SCHEMBL26419673 0.70 KDM4C (0.39) SLC6A4IDO1KDM4C

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 5 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
EP-1959959-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-27 EP disclosed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 WO 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 HTR2A 31/4885HTR2C 40/4885HTR2B 57/4885

“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.