SCHEMBL5114399

SCHEMBL5114399

NCCNCc1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SLC2A1 P11166 1/20 0.54
CD274 Q9NZQ7 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ATM Q13315 1/20 0.51
BCHE P06276 5/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
PDK2 Q15119 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.49
MC4R P32245 1/20 0.49
MC5R P33032 1/20 0.49
NLRP3 Q96P20 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
SCHEMBL10702781 0.87 SLC2A1 (0.69) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL13973354 0.83 SMN1; SMN2 (0.63) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL16229901 0.80 ADH1B (0.51) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL9903807 0.79 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL13959010 0.78 CD274 (0.53) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL3026043 0.77 BCHE (0.75) KMT2AMEN1BCHE
SCHEMBL6233694 0.76 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL14078203 0.76 CD274 (0.48) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL21633605 0.75 SLC2A1 (0.60) SMN1; SMN2KDM4ELMNAHTTALDH1A1
SCHEMBL9443940 0.75 NPC1 (0.55) SMN1; SMN2HTTKMT2AMEN1MAPK1

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
US-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
EP-1802600-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONITS FOR THE TREATMENT OF UROLOGICAL DISORDERS Bayer HealthCare AG (DE) 2007-07-04 EP disclosed
WO-2006040136-A1 SUBSTITUTED 4-BENZYLOXY-PHENYLMETHYLAMIDE DERIVATIVES AS COLD MENTHOL RECEPTOR-1 (CMR-1) ANTAGONISTS FOR THE TREATMENT OF UROLOGICAL DISORDER BAYER HEALTHCARE AG (DE) 2006-04-20 WO 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-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives OPRL1, ADRA1A, CNR1 SMN1; SMN2 401/4885KDM4E 2580/4885LMNA 970/4885

“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.