SCHEMBL3519935

SCHEMBL3519935

O=C(O)[C@H]1CN(Cc2ccccc2)CCO1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.57
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
GRIN2B Q13224 2/20 0.51
S1PR5 Q9H228 2/20 0.50
S1PR1 P21453 1/20 0.50
CNR2 P34972 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
AGTR2 P50052 1/20 0.47

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
SCHEMBL3521678 1.00 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL159384 1.00 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL12610726 0.98 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL12610644 0.98 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL917642 0.98 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL4836218 0.98 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL27641050 0.91 DRD4 (0.57) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL4129378 0.90 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL12696566 0.90 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4
SCHEMBL2447401 0.90 DRD4 (0.56) DRD4DRD2DRD3CYP1A2CYP3A4

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
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP disclosed
WO-2012128582-A2 A COMPOUND FOR INHIBITING HUMAN 11-β-HYDROXY STEROID DEHYDROGENASE TYPE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-09-27 WO 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 DRD4 790/4885DRD2 173/4885DRD3 492/4885

“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.