SCHEMBL5509977

SCHEMBL5509977

CC(C)(Cc1ccccc1)NCC(O)COc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.69
CASR P41180 12/20 0.67
ADRB2 P07550 9/20 0.64
SLC6A4 P31645 6/20 0.64
ADRB3 P13945 6/20 0.64
ADRB1 P08588 4/20 0.64
SIGMAR1 Q99720 4/20 0.64
SLC6A2 P23975 4/20 0.64
KCNH2 Q12809 4/20 0.64
CYP1A2 P05177 3/20 0.64
HTR2B P41595 3/20 0.64
NR2E1 Q9Y466 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HTR2A P28223 3/20 0.64
HTR2C P28335 3/20 0.64
HTR6 P50406 3/20 0.64
SCN1A P35498 2/20 0.64
SLC10A1 Q14973 2/20 0.64
SCN2A Q99250 2/20 0.64
SCN3A Q9NY46 2/20 0.64

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
SCHEMBL11143271 0.92 CYP2D6 (0.65) CYP2D6CASRADRB2SLC6A4ADRB3
SCHEMBL11137275 0.92 CYP2D6 (0.65) CYP2D6CASRADRB2SLC6A4ADRB3
SCHEMBL14382940 0.92 CYP2D6 (0.65) CYP2D6CASRADRB2SLC6A4ADRB3
SCHEMBL11137311 0.92 CYP2D6 (0.65) CYP2D6CASRADRB2SLC6A4ADRB3
Hydrochloric Acid SCHEMBL5517357 0.91 CYP2D6 (0.64) CYP2D6CASRADRB2SLC6A4ADRB3
SCHEMBL11137529 0.90 CASR (0.78) CYP2D6CASRADRB2SLC6A4ADRB3
SCHEMBL14383089 0.90 CASR (0.78) CYP2D6CASRADRB2SLC6A4ADRB3
SCHEMBL14383090 0.90 CASR (0.78) CYP2D6CASRADRB2SLC6A4ADRB3
Hydrochloric Acid SCHEMBL5517095 0.89 CASR (0.77) CYP2D6CASRADRB2SLC6A4ADRB3
Hydrochloric Acid SCHEMBL5518953 0.89 CASR (0.77) CYP2D6CASRADRB2SLC6A4ADRB3

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
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
EP-0901459-B1 CALCILYTIC COMPOUNDS NPS PHARMA INC (US) 2005-06-29 EP disclosed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 US disclosed
US-6818660-B2 FOR INHIBITING CALCIUM RECEPTOR ACTIVIT; TO STIMULATE SECRETION OF PARATHYROID HORMONE (PTH); FOR BONE FORMATION NPS PHARMACEUTICALS, INC. 2004-11-16 US disclosed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-6432656-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 US disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 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 (3 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-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 CYP2D6 4067/4885CASR 2/4885ADRB2 482/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 CYP2D6 4067/4885CASR 2/4885ADRB2 482/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL CYP2D6 3907/4885CASR 2/4885ADRB2 701/4885

“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.