SCHEMBL542073

SCHEMBL542073

CCn1cc(-c2cccc(C(F)(F)F)c2)c2cc(CN[C@H](C)c3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.49
PPARG P37231 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL3946612 1.00 CASR (0.49) CASRPPARGSMN1; SMN2AKR1C3AKR1C2
SCHEMBL541645 0.90 CASR (0.61) CASRPPARGSMN1; SMN2PDE4APDE4B
SCHEMBL541938 0.90 CASR (0.61) CASRPPARGSMN1; SMN2PDE4APDE4B
SCHEMBL541477 0.89 CASR (0.58) CASRPPARGSMN1; SMN2
SCHEMBL541227 0.89 CASR (0.58) CASRPPARGSMN1; SMN2
SCHEMBL541461 0.89 CASR (0.47) CASRSMN1; SMN2
SCHEMBL541235 0.89 CASR (0.47) CASRSMN1; SMN2
SCHEMBL541529 0.88 CASR (0.43) CASRPPARGSMN1; SMN2
SCHEMBL541978 0.88 CASR (0.43) CASRPPARGSMN1; SMN2
SCHEMBL541664 0.87 CASR (0.50) CASRPPARGELANE

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP claimed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US claimed
US-8779004-B2 Stable emulsion formulations AMGEN, INC. (US) 2014-07-15 US disclosed
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP disclosed
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP disclosed
CN-101437490-A Stable emulsion formulations AMGEN INC (US) 2009-05-20 CN disclosed
US-20070249520-A1 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-10-25 US disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
US-20040077619-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-22 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-20070249520-A1 STABLE EMULSION FORMULATIONS CALCR, CALCB, CALCRL CASR 153/4885PPARG 3183/4885SMN1; SMN2 3345/4885
US-20040077619-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR CASR 2/4885PPARG 1359/4885SMN1; SMN2 4597/4885

“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.