SCHEMBL3901441

SCHEMBL3901441

NC1(c2ccc(F)c(F)c2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MCHR1 Q99705 1/20 0.49
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
DPP4 P27487 1/20 0.48
RORC P51449 4/20 0.47
KDM1A O60341 1/20 0.46
PTGDR2 Q9Y5Y4 5/20 0.45
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
NOS2 P35228 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
Hydrochloric Acid SCHEMBL30702535 0.92 RORC (0.49) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL29087283 0.90 OPRD1 (0.48) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL16042582 0.87 RORC (0.57) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL56293 0.85 OPRD1 (0.58) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL18742622 0.84 OPRD1 (0.57) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL29087323 0.84 OPRK1 (0.51) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL29087310 0.84 RORC (0.48) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL29087343 0.84 RORC (0.50) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL31567123 0.83 RORC (0.51) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL30702474 0.83 RORC (0.51) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1

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 SMN1; SMN2 1391/4885CYP2C19 114/4885MEN1 3003/4885

“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.