SCHEMBL17939912

SCHEMBL17939912

COc1cccc([C@@H](C)NCCc2cc(-c3cc(F)cc(CCC(=O)OC(C)C)c3)c3cc(F)ccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 12/20 0.40
▸ HTR1A P08908 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HTR5A P47898 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ GPR65 Q8IYL9 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL17939886 0.89 PFKFB3 (0.38) CASRMEN1KMT2APFKFB3RPS6KA5
SCHEMBL16548191 0.89 PFKFB3 (0.38) CASRMEN1KMT2APFKFB3RPS6KA5
SCHEMBL17939841 0.82 CASR (0.40) CASRMEN1KMT2APFKFB3RPS6KA5
SCHEMBL16548150 0.82 CASR (0.40) CASRMEN1KMT2APFKFB3RPS6KA5
SCHEMBL16540433 0.81 CASR (0.41) CASRHTR1AADRA2BADRA2CSLC6A2
SCHEMBL18215372 0.80 PFKFB3 (0.40) CASRMEN1KMT2APFKFB3RPS6KA5
SCHEMBL16548251 0.80 PFKFB3 (0.40) CASRMEN1KMT2APFKFB3RPS6KA5
Hydrochloric Acid SCHEMBL17939864 0.79 PFKFB3 (0.39) CASRMEN1KMT2APFKFB3RPS6KA5
SCHEMBL16548177 0.79 CASR (0.38) CASRMEN1KMT2APFKFB3RPS6KA5
SCHEMBL17939866 0.79 CASR (0.38) CASRMEN1KMT2APFKFB3RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — 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 (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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 CASR 1/4885HTR1A 401/4885ADRA2B 275/4885

“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