SCHEMBL6224930

SCHEMBL6224930

COc1cccc(C(C)NCCCc2ccc(Cl)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.69
SIGMAR1 Q99720 3/20 0.67
HTR1A P08908 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
SLC6A2 P23975 1/20 0.67
HRH2 P25021 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HRH1 P35367 1/20 0.67
OPRM1 P35372 1/20 0.67
DRD3 P35462 1/20 0.67
OPRK1 P41145 1/20 0.67
HTR2B P41595 1/20 0.67
HTR5A P47898 1/20 0.67
HTR6 P50406 1/20 0.67
TMEM97 Q5BJF2 1/20 0.67
GPR65 Q8IYL9 1/20 0.67
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL15130979 1.00 CASR (0.69) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL6221598 0.89 CASR (0.67) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL8162339 0.89 CASR (0.67) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL15130942 0.89 CASR (0.67) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL31424066 0.89 CASR (0.67) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL6081570 0.88 CASR (0.71) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL15131194 0.88 CASR (0.71) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL6081573 0.88 CASR (0.71) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL8175405 0.88 CASR (0.62) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL31424070 0.88 CASR (0.62) CASRSIGMAR1HTR1AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
EP-1553078-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-07-13 EP disclosed
EP-1275635-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2003-01-15 EP disclosed
EP-1203761-A2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
US-6211244-B1 AROMATIC AMINES FOR COMPLEXING CALCIUM NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
WO-1996012697-A9 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2000-08-24 WO disclosed
EP-0787122-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-08-06 EP disclosed
WO-1996012697-A2 CALCIUM RECEPTOR-ACTIVE COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1996-05-02 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-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 CASR 1/4885SIGMAR1 708/4885HTR1A 3316/4885

“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.