SCHEMBL6479308

SCHEMBL6479308

O=[N+]([O-])c1cc([C@@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(O)cc2)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.40
CTSL P07711 4/20 0.40
POLB P06746 1/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
FFAR1 O14842 1/20 0.38
PDCD1 Q15116 6/20 0.38
CD274 Q9NZQ7 6/20 0.38
ABCB1 P08183 1/20 0.37
BACE1 P56817 1/20 0.35

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
SCHEMBL6479313 1.00 CTSV (0.40) CTSVCTSLPOLBOPRD1OPRK1
SCHEMBL7039596 0.96 CTSV (0.43) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL7039802 0.94 MEN1 (0.41) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL7686827 0.92 CTSV (0.46) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL7036432 0.92 KMT2A (0.41) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL7036429 0.92 KMT2A (0.41) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL6541035 0.92 POLB (0.44) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL6541029 0.92 POLB (0.44) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL7042818 0.91 FFAR1 (0.44) CTSVCTSLPOLBFFAR1PDCD1
SCHEMBL11820298 0.89 CTSV (0.41) CTSVCTSLPOLBOPRD1OPRK1

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-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO 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-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 (2 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 CTSV 4425/4885CTSL 3805/4885POLB 2187/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 CTSV 4139/4885CTSL 3655/4885POLB 2612/4885

“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.