SCHEMBL3465010

SCHEMBL3465010

COc1cc(CNCCN(C(=O)O)C(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.62
HTR1A P08908 1/20 0.56
HTR7 P34969 1/20 0.56
HTR6 P50406 1/20 0.56
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
MEN1 O00255 1/20 0.53
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53

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
SCHEMBL19742788 0.81 KDM4E (0.58) BCHEALDH1A1CYP2D6KMT2AKDM4E
Hydrochloric Acid SCHEMBL4949263 0.81 BCHE (0.77) BCHEHTR1AHTR7HTR6LMNA
SCHEMBL6323367 0.80 BCHE (0.61) BCHEHTR1AHTR7HTR6LMNA
SCHEMBL5113589 0.80 BCHE (0.69) BCHEHTR1AHTR7HTR6LMNA
SCHEMBL5186712 0.80 MTNR1A (0.46) BCHENPC1PKMRAB9AKMT2A
SCHEMBL14078228 0.79 BCHE (0.62) BCHEHTR1AHTR7HTR6LMNA
SCHEMBL4849285 0.79 KMT2A (0.51) LMNAALDH1A1KMT2AKDM4EHTT
SCHEMBL5315461 0.78 BCHE (0.67) BCHEHTR1AHTR7HTR6LMNA
SCHEMBL3051565 0.78 LMNA (0.74) BCHEHTR1AHTR7HTR6LMNA
SCHEMBL9416614 0.77 LMNA (0.73) BCHEHTR1AHTR7HTR6LMNA

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
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO 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-2007017094-A1 SUBSTITUTED BENZYLOXY-PHENYLMETHYLCARBAMATE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO 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 BCHE 551/4885HTR1A 96/4885HTR7 1883/4885

“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.