SCHEMBL6491040

SCHEMBL6491040

O=[N+]([O-])c1cc([C@@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(Oc3ccnc4ccc(F)cc34)cc2)ccc1OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.33
CTSL P07711 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KDR P35968 2/20 0.33
PDGFRA P16234 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGES O14684 2/20 0.32
MET P08581 1/20 0.31

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
SCHEMBL6491044 1.00 CTSV (0.33) CTSVCTSLLPAR1LPAR5MAPT
SCHEMBL7688979 0.95 KDR (0.34) CTSVCTSLLPAR1LPAR5MAPT
SCHEMBL7688980 0.95 KDR (0.34) CTSVCTSLLPAR1LPAR5MAPT
SCHEMBL7691909 0.89 KDR (0.36) CTSVCTSLMAPTALDH1A1MEN1
SCHEMBL7691911 0.89 KDR (0.36) CTSVCTSLMAPTALDH1A1MEN1
SCHEMBL7691028 0.88 KDR (0.33) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL7691026 0.88 KDR (0.33) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL6479054 0.88 LPAR1 (0.34) LPAR1LPAR5KDRMETPDGFRB
SCHEMBL6479065 0.88 LPAR1 (0.34) LPAR1LPAR5KDRMETPDGFRB
SCHEMBL6478661 0.85 MEN1 (0.39) CTSVCTSLMAPTALDH1A1MEN1

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 CTSV 4425/4885CTSL 3805/4885LPAR1 494/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 CTSV 4139/4885CTSL 3655/4885LPAR1 361/4885

“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.