SCHEMBL6488702

SCHEMBL6488702

NC(=O)c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.39
LPAR5 Q9H1C0 3/20 0.39
MET P08581 7/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AXL P30530 2/20 0.36
MERTK Q12866 2/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
TEK Q02763 1/20 0.35
AURKB Q96GD4 1/20 0.35
POLB P06746 1/20 0.35
ABCB1 P08183 3/20 0.35
MAPK1 P28482 2/20 0.34
GAA P10253 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
SCHEMBL7686564 0.94 LPAR1 (0.43) LPAR1LPAR5METALDH1A1MAPT
SCHEMBL7692913 0.91 LPAR1 (0.39) LPAR1LPAR5METALDH1A1MAPT
SCHEMBL7692473 0.90 MET (0.38) LPAR1LPAR5METALDH1A1MAPT
SCHEMBL6478360 0.90 MAPT (0.39) LPAR1LPAR5METALDH1A1MAPT
SCHEMBL7693432 0.90 MET (0.39) LPAR1LPAR5METALDH1A1MAPT
SCHEMBL7694588 0.89 SPHK2 (0.38) LPAR1LPAR5METALDH1A1MAPT
SCHEMBL7686803 0.89 ALDH1A1 (0.39) LPAR1LPAR5METALDH1A1MAPT
SCHEMBL7687505 0.89 MET (0.38) LPAR1LPAR5METALDH1A1MAPT
SCHEMBL7693355 0.89 MEN1 (0.37) LPAR1LPAR5METALDH1A1AXL
SCHEMBL7689561 0.89 MET (0.40) LPAR1LPAR5METALDH1A1MAPT

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 2 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

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 LPAR1 494/4885LPAR5 1445/4885MET 2453/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 LPAR1 361/4885LPAR5 1228/4885MET 2555/4885

“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.