SCHEMBL3899809

SCHEMBL3899809

O=C(OCc1ccccc1)N1CCC(C(=O)Cl)(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM1A O60341 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CYP2C19 P33261 1/20 0.47
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GRIN2B Q13224 1/20 0.43

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
SCHEMBL3901930 0.92 OPRD1 (0.56) MEN1KMT2ANPSR1KDM1AOPRD1
SCHEMBL3910173 0.91 RORC (0.57) RORCMEN1KMT2ANPSR1KDM1A
SCHEMBL8696969 0.84 RORC (0.58) RORCMEN1KMT2ANPSR1KDM1A
SCHEMBL16042582 0.83 RORC (0.57) RORCMEN1KMT2ANPSR1KDM1A
SCHEMBL2470472 0.82 OPRL1 (0.56) RORCMEN1KMT2ANPSR1KDM1A
SCHEMBL2467789 0.81 KMT2A (0.58) RORCMEN1KMT2ANPSR1KDM1A
SCHEMBL29087277 0.80 RORC (0.61) RORCMEN1KMT2ANPSR1KDM1A
SCHEMBL16639868 0.79 SMN1; SMN2 (0.59) RORCMEN1KMT2ANPSR1KDM1A
SCHEMBL17187989 0.79 KMT2A (0.52) RORCMEN1KMT2ANPSR1KDM1A
SCHEMBL29087388 0.79 RORC (0.60) RORCMEN1KMT2ANPSR1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521449-B2 4-arylmorpholin-3-one derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-04-21 US disclosed
US-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 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-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF ADRB3, ADRA2C, OPRK1 RORC 297/4885MEN1 3003/4885KMT2A 3890/4885

“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.