SCHEMBL10167700

SCHEMBL10167700

C[C@@H](NCc1ccc(C(=O)O)cc1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.55
▸ ACP3 P15309 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ CASR P41180 6/20 0.51
▸ EPHX2 P34913 2/20 0.50
▸ NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL5193705 0.87 POLB (0.61) CYP2D6ACP3POLBCASREPHX2
SCHEMBL15131229 0.87 POLB (0.61) CYP2D6ACP3POLBCASREPHX2
SCHEMBL2341650 0.87 POLB (0.61) CYP2D6ACP3POLBCASREPHX2
Hydrochloric Acid SCHEMBL3082165 0.86 CASR (0.60) CYP2D6ACP3POLBCASREPHX2
Hydrochloric Acid SCHEMBL31355096 0.86 CASR (0.60) CYP2D6ACP3POLBCASREPHX2
Hydrochloric Acid SCHEMBL3067899 0.86 CASR (0.60) CYP2D6ACP3POLBCASREPHX2
Hydrochloric Acid SCHEMBL607723 0.86 CASR (0.60) CYP2D6ACP3POLBCASREPHX2
SCHEMBL20929726 0.85 HPGDS (0.49) CYP2D6ACP3CASR
SCHEMBL16548174 0.85 CYP2D6 (0.47) CYP2D6CASR
SCHEMBL16540044 0.85 CYP2D6 (0.47) CYP2D6CASR

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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 — — US disclosed
WO-2010136036-A2 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2010-12-02 — — 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 (1 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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R CYP2D6 4411/4885ACP3 357/4885POLB 4760/4885

“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.

Send feedback