SCHEMBL6487410

SCHEMBL6487410

OCC(Cc1ccc(O)cc1)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
SIGMAR1 Q99720 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6487403 1.00 CNR1 (0.56) CNR1SIGMAR1OPRD1OPRK1CYP3A4
SCHEMBL23023068 0.91 SIGMAR1 (0.55) CNR1SIGMAR1CYP3A4MAPK1KDM4E
SCHEMBL1823141 0.91 SIGMAR1 (0.55) CNR1SIGMAR1CYP3A4MAPK1KDM4E
SCHEMBL7041284 0.91 SIGMAR1 (0.55) CNR1SIGMAR1CYP3A4MAPK1KDM4E
SCHEMBL6541038 0.89 CNR1 (0.47) CNR1OPRD1OPRK1CYP3A4MAPK1
SCHEMBL28653631 0.87 SIGMAR1 (0.51) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL14733411 0.87 SIGMAR1 (0.51) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL28653629 0.87 SIGMAR1 (0.51) SIGMAR1CYP3A4MAPK1KDM4EMEN1
SCHEMBL6540775 0.85 SIGMAR1 (0.46) CNR1SIGMAR1CYP3A4MAPK1KDM4E
SCHEMBL10877160 0.85 SMN1; SMN2 (0.51) SIGMAR1CYP3A4MAPK1KDM4EMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030073846-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-04-17 US disclosed
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
EP-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 WO disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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 (3 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-20030073846-A1 Aminoalcohol derivatives XDH, ADH1A, ADRB1 CNR1 71/4885SIGMAR1 53/4885OPRD1 14/4885
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 CNR1 49/4885SIGMAR1 33/4885OPRD1 17/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 CNR1 41/4885SIGMAR1 51/4885OPRD1 25/4885

“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.