SCHEMBL6492398

SCHEMBL6492398

CC(C)(C)OC(=O)N1[C@@H](Cc2ccc(Oc3ccnc4ccccc34)cc2)COC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
MET P08581 7/20 0.39
AXL P30530 2/20 0.39
MERTK Q12866 1/20 0.39
FAP Q12884 2/20 0.37
KDR P35968 4/20 0.37
BRAF P15056 1/20 0.37
MAPK14 Q16539 1/20 0.37
TNNI3K Q59H18 1/20 0.37
ADAM17 P78536 1/20 0.37
LCK P06239 1/20 0.36
TACR1 P25103 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
PDGFRA P16234 2/20 0.34
FGFR2 P21802 1/20 0.34

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
SCHEMBL7692131 0.92 MET (0.39) SSTR4METAXLMERTKFAP
SCHEMBL6489308 0.89 HSD17B10 (0.41) METAXLMERTKKDRPDGFRA
SCHEMBL6489302 0.89 HSD17B10 (0.41) METAXLMERTKKDRPDGFRA
SCHEMBL6481261 0.86 CARM1 (0.43) ADAM17
SCHEMBL6481265 0.86 CARM1 (0.43) ADAM17
SCHEMBL2288435 0.84 SPHK1 (0.39)
SCHEMBL6487557 0.84 SPHK1 (0.39)
SCHEMBL6487562 0.84 SPHK1 (0.39)
SCHEMBL6479423 0.81 MEN1 (0.39)
SCHEMBL6479427 0.81 MEN1 (0.39)

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 4 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
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 SSTR4 2076/4885MET 2453/4885AXL 2952/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 SSTR4 1605/4885MET 2555/4885AXL 2151/4885

“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.