SCHEMBL2405192

SCHEMBL2405192

NC(=O)CNCCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.73
MPO P05164 14/20 0.70
SLC6A4 P31645 4/20 0.68
MTNR1A P48039 1/20 0.65
MTNR1B P49286 1/20 0.65
SPR P35270 1/20 0.59
HTR2A P28223 1/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
HTR1A P08908 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56

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
SCHEMBL2405088 0.85 MPO (0.67) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL2405350 0.84 MPO (0.65) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL2407287 0.81 MPO (1.00) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL3695233 0.81 MPO (1.00) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL2410329 0.80 MPO (1.00) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL20242784 0.80 NOTUM (0.78) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL2405001 0.80 MPO (1.00) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL32678266 0.80 NOTUM (0.77) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL32678263 0.80 NOTUM (0.77) NOTUMMPOSLC6A4MTNR1AMTNR1B
SCHEMBL2177075 0.79 TSHR (0.75) NOTUMMPOSLC6A4MTNR1AMTNR1B

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 NOTUM 3663/4885MPO 3915/4885SLC6A4 781/4885

“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.