SCHEMBL5511560

SCHEMBL5511560

COc1ccc(CC(C)(C)NCCOc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.67
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
KCNH2 Q12809 2/20 0.48
ADRB2 P07550 2/20 0.48
ADRB3 P13945 2/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6439235 0.96 CASR (0.65) CASRDRD2DRD4DRD3KCNH2
Hydrochloric Acid SCHEMBL5512676 0.94 CASR (0.64) CASRDRD2DRD4DRD3KCNH2
SCHEMBL5521284 0.92 CASR (0.64) CASRDRD2DRD4DRD3KCNH2
SCHEMBL14522208 0.83 CASR (0.68) CASRDRD2DRD4DRD3KCNH2
SCHEMBL5527612 0.82 CASR (0.59) CASRALDH1A1MEN1KMT2A
SCHEMBL14383034 0.80 CASR (0.74) CASRKCNH2ADRB2ADRB3CYP2D6
SCHEMBL14382945 0.80 CASR (1.00) CASRKCNH2ADRB2ADRB3CYP2D6
SCHEMBL14382943 0.80 CASR (1.00) CASRKCNH2ADRB2ADRB3CYP2D6
SCHEMBL14382947 0.80 CASR (1.00) CASRKCNH2ADRB2ADRB3CYP2D6
SCHEMBL5519885 0.80 CASR (0.56) CASRALDH1A1

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 9 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

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 2/4885DRD2 2114/4885DRD4 3589/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 CASR 2/4885DRD2 2114/4885DRD4 3589/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL CASR 2/4885DRD2 2398/4885DRD4 3834/4885

“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.