SCHEMBL5113589

SCHEMBL5113589

COc1cc(CNCCNC(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.69
NPC1 O15118 1/20 0.64
PKM P14618 1/20 0.64
RAB9A P51151 1/20 0.64
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
LMNA P02545 3/20 0.60
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 2/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
KMT2A Q03164 1/20 0.60
HTR1A P08908 1/20 0.59
HTR7 P34969 1/20 0.59
HTR6 P50406 1/20 0.59
ALDH1A1 P00352 3/20 0.58
SLC2A1 P11166 1/20 0.58
NLRP3 Q96P20 1/20 0.56
CYP2D6 P10635 2/20 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
SCHEMBL5315461 0.93 BCHE (0.67) BCHENPC1PKMRAB9AMTNR1A
SCHEMBL5113660 0.91 BCHE (0.57) BCHENPC1PKMRAB9AMTNR1A
SCHEMBL3457501 0.89 HTT (0.65) BCHENPC1PKMRAB9ALMNA
Hydrochloric Acid SCHEMBL4949263 0.89 BCHE (0.77) BCHENPC1PKMRAB9ALMNA
SCHEMBL14078228 0.87 BCHE (0.62) BCHENPC1PKMRAB9AMTNR1A
SCHEMBL3458474 0.87 KMT2A (0.70) BCHERAB9ALMNAHTTSMN1; SMN2
SCHEMBL5120825 0.84 BCHE (0.55) BCHENPC1PKMRAB9AMTNR1A
SCHEMBL6136381 0.84 BCHE (0.64) BCHENPC1PKMRAB9AMTNR1A
SCHEMBL3051565 0.83 LMNA (0.74) BCHENPC1PKMRAB9ALMNA
SCHEMBL9416614 0.82 LMNA (0.73) BCHENPC1PKMRAB9ALMNA

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
WO-2007080109-A1 SUBSTITUDED BENZYLOXY-PHENYLMETHYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-19 WO 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 551/4885NPC1 693/4885PKM 2146/4885

“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.