SCHEMBL5514922

SCHEMBL5514922

COc1ccc(CC(C)(C)NCC(O)COC(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 1.00
ADRB2 P07550 6/20 0.60
ADRB3 P13945 4/20 0.60
CYP2D6 P10635 3/20 0.59
SLC6A2 P23975 3/20 0.59
SLC6A4 P31645 3/20 0.59
SLC6A3 Q01959 3/20 0.59
KCNH2 Q12809 3/20 0.59
ADRB1 P08588 1/20 0.54

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
SCHEMBL14382960 0.86 CASR (0.90) CASRADRB2ADRB3CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL5509997 0.85 CASR (0.88) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL5513211 0.85 CASR (0.74) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL11497469 0.83 CASR (0.71) CASRADRB2ADRB3CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL5511054 0.82 CASR (0.82) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL14382943 0.82 CASR (1.00) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL14382945 0.82 CASR (1.00) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL14382947 0.82 CASR (1.00) CASRADRB2ADRB3CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL5517156 0.82 CASR (0.77) CASRADRB2ADRB3CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL5510007 0.81 CASR (0.80) CASRADRB2ADRB3CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
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
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 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

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 CASR 2/4885ADRB2 482/4885ADRB3 1213/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 CASR 2/4885ADRB2 482/4885ADRB3 1213/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL CASR 2/4885ADRB2 701/4885ADRB3 1511/4885

“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.