SCHEMBL5114841

SCHEMBL5114841

COc1cc(CNCc2ccccc2)ccc1OCc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
BCHE P06276 3/20 0.65
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 2/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NPY1R P25929 1/20 0.61
NPY2R P49146 1/20 0.61
MAPT P10636 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 2/20 0.59
PLK1 P53350 1/20 0.59
ATM Q13315 1/20 0.59
HTR1A P08908 1/20 0.57
HTR7 P34969 1/20 0.57
HTR6 P50406 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
NPC1 O15118 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
SCHEMBL3051565 0.93 LMNA (0.74) LMNABCHEKMT2AKDM4EHTT
SCHEMBL9416614 0.89 LMNA (0.73) LMNABCHEKMT2AKDM4EHTT
SCHEMBL15508239 0.87 L3MBTL1 (0.64) BCHEKMT2ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL4949263 0.85 BCHE (0.77) LMNABCHEKMT2AKDM4EHTT
SCHEMBL13973184 0.85 BCHE (0.69) LMNABCHEKMT2AKDM4EHTT
SCHEMBL18104310 0.84 MEN1 (0.61) LMNAKMT2AKDM4EMAPTNPSR1
SCHEMBL20246693 0.84 MAOB (0.55) LMNABCHEKMT2AKDM4ESMN1; SMN2
SCHEMBL21667956 0.83 FFAR1 (0.58) BCHEKMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL3042373 0.83 LMNA (0.69) LMNABCHEKMT2AKDM4EHTT
SCHEMBL5525095 0.82 BCHE (0.64) LMNABCHEKMT2AKDM4EHTT

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 5 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
US-20080214654-A1 Substituted Benzyloxy-Phenylmethylamide Derivatives BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
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 LMNA 970/4885BCHE 551/4885KMT2A 1539/4885

“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.