SCHEMBL15831795

SCHEMBL15831795

Cc1ccc(C#N)c(N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
FFAR4 Q5NUL3 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
NSD2 O96028 1/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
PRKDC P78527 1/20 0.47
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 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
SCHEMBL414489 0.89 MAPK1 (0.55) MAPK1SMN1; SMN2TSHRKDM4EHTT
SCHEMBL2558799 0.85 AR (0.51) FFAR4TSHRKDM4EHTTLMNA
SCHEMBL15831825 0.84 FFAR4 (0.48) FFAR4SMN1; SMN2TSHRKDM4EHTT
SCHEMBL15831832 0.83 FFAR4 (0.50) FFAR4TSHRKDM4EHTTLMNA
SCHEMBL15831819 0.83 FFAR4 (0.50) FFAR4TSHRKDM4EHTTLMNA
SCHEMBL15831794 0.83 FFAR4 (0.50) FFAR4TSHRKDM4EHTTLMNA
SCHEMBL17871933 0.82 KDM4E (0.56) FFAR4SMN1; SMN2TSHRKDM4EMAPT
SCHEMBL15831831 0.81 FFAR4 (0.49) FFAR4SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL30918449 0.81 HTR1A (0.51) FFAR4ALDH1A1
SCHEMBL5345746 0.81 HTR1A (0.51) FFAR4ALDH1A1

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
CN-113072460-B Morpholine derivative oxidation ring-opening method and product thereof 西南大学 2022-06-24 CN disclosed
CN-113072460-A Morpholine derivative oxidation ring-opening method and product thereof 西南大学 2021-07-06 CN disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 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-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 MAPK1 4145/4885FFAR4 100/4885SMN1; SMN2 4541/4885

“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.