SCHEMBL3518657

SCHEMBL3518657

CC(C)CNCc1ccc2c(c1)C(OC1CCCCO1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
BDKRB1 P46663 2/20 0.34
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
MCHR1 Q99705 1/20 0.32
CYP2D6 P10635 1/20 0.32
RORC P51449 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
AVPR1B P47901 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BACE1 P56817 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
SCHEMBL13039062 0.82 MEN1 (0.45) MEN1KMT2ABDKRB1OPRM1OPRK1
SCHEMBL13039463 0.76 MEN1 (0.40) MEN1KMT2ABDKRB1OPRM1OPRK1
SCHEMBL3517535 0.76 HTR2A (0.37) HTT
SCHEMBL3519977 0.75 ALDH1A1 (0.34) MEN1KMT2AALDH1A1KDM4E
SCHEMBL3516500 0.70 KDM4E (0.46) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL8377336 0.69 SLC6A4 (0.38) HTT
SCHEMBL13039465 0.69 OPRM1 (0.44) MEN1KMT2AOPRM1OPRK1LMNA
SCHEMBL8382519 0.69 HSD11B1 (0.33) MEN1KMT2AALDH1A1KDM4E
SCHEMBL3518923 0.68 KDM4E (0.46) OPRM1OPRK1ALDH1A1KDM4ETSHR
SCHEMBL3519361 0.68 KDM4E (0.46) OPRM1OPRK1POLBALDH1A1KDM4E

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 MEN1 410/4885KMT2A 2847/4885BDKRB1 295/4885

“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.