SCHEMBL6081573

SCHEMBL6081573

COc1cccc(C(C)NCCCc2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.71
SIGMAR1 Q99720 4/20 0.68
HTR1A P08908 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
SLC6A2 P23975 1/20 0.68
HRH2 P25021 1/20 0.68
HTR2A P28223 1/20 0.68
HTR2C P28335 1/20 0.68
HRH1 P35367 1/20 0.68
OPRM1 P35372 1/20 0.68
DRD3 P35462 1/20 0.68
OPRK1 P41145 1/20 0.68
HTR2B P41595 1/20 0.68
HTR5A P47898 1/20 0.68
HTR6 P50406 1/20 0.68
TMEM97 Q5BJF2 1/20 0.68
GPR65 Q8IYL9 1/20 0.68
PTGDR Q13258 1/20 0.50
SLC2A1 P11166 1/20 0.48

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
SCHEMBL15131194 1.00 CASR (0.71) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL6081570 1.00 CASR (0.71) CASRSIGMAR1HTR1AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1179256 0.99 CASR (0.70) CASRSIGMAR1HTR1AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1179260 0.99 CASR (0.70) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL6221298 0.96 CASR (0.69) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL7383150 0.96 CASR (0.69) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL15131034 0.89 SIGMAR1 (0.59) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL8175405 0.88 CASR (0.62) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL31424070 0.88 CASR (0.62) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL7963841 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054169-A1 COMPOSITIONS AND METHODS FOR TOPICAL TREATMENT WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2025-03-13 WO disclosed
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
US-20060229470-A1 Calcium receptor-active molecules NPS PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
US-6313146-B1 CAN BE USED FOR THERAPY OF DISEASES OR DISORDERS IN A PATIENT BY MODULATING ONE OR MORE INORGANIC ION RECEPTOR ACTIVITIES NPS PHARMACEUTICALS, INC. 2001-11-06 US disclosed
EP-0873298-A4 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMA INC (US) 2000-05-17 EP disclosed
EP-0873298-A4 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMA INC (US) 2000-05-17 EP disclosed
US-6031003-A TREATING A PATIENT HAVING A DISEASE OR DISORDER TREATABLE BY MODULATING ACTIVITY OF CALCIUM RECEPTORS IN VITRO BY ADMINISTERING A CALCIMIMETIC COMPOUND DETERMINED BY THE CALCILYTIC BOVINE PARATHYROID CELL TEST; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. (US) 2000-02-29 US disclosed
US-6011068-A CARBOCYCLIC-ALKYL SECONDARY AMINES NPS PHARMACEUTICALS, INC. (US) 2000-01-04 US disclosed
US-5962314-A CERTAIN CELLS IN THE BODY RESPOND NOT ONLY TO CHEMICAL SIGNALS, BUT ALSO TO IONS SUCH AS EXTRACELLULAR CALCIUM IONS (CA.SUP.2+). THE INVENTION RELATES TO NUCLEIC ACIDS ENCODING SUCH RECEPTORS AND CELLS CONTAINING SUCH NUCLEIC ACIDS. NPS PHARMACEUTICALS, INC. (US) 1999-10-05 US disclosed
US-5858684-A CONTACTING RECOMBINANT CELL WITH TEST COMPOUND WHICH IS NOT VERAPAMIL OR GALLOPAMIL, DETERMINING ABILITY OF COMPOUND TO AFFECT ACTIVITIES OF INORGANIC ION RECEPTOR; DETERMINATION OF AGONIST AND ANTAGONIST DRUGS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1999-01-12 US disclosed
EP-0873298-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
EP-0873298-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
US-5763569-A POLYPEPTIDES AS CALCIUM RECEPTORS TO GENERATE ANTIBODIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC (US) 1998-06-09 US disclosed
US-5688938-A Calcium receptor-active molecules THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 1997-11-18 US disclosed
US-5648541-A FORMING ENANTIOMERS FROM IMINES BY REDUCTION WITH LITHIUM ALUMINUM HYDRIDE NPS PHARMACEUTICALS, INC. (US) 1997-07-15 US disclosed
WO-1997011934-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed
WO-1997011934-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1997-04-03 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 (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-20060229470-A1 Calcium receptor-active molecules CASR, CALCR, ORAI1 CASR 1/4885SIGMAR1 708/4885HTR1A 3316/4885
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.