SCHEMBL5519286

SCHEMBL5519286

COCC(Br)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAOA P21397 1/20 0.47
PTGS1 P23219 1/20 0.47
KCNA3 P22001 1/20 0.46
SCN4A P35499 2/20 0.46
HTR1B P28222 2/20 0.42
HTR1D P28221 1/20 0.42
MTNR1A P48039 3/20 0.42
MTNR1B P49286 3/20 0.42
CYP2D6 P10635 2/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL17009054 0.82 LMNA (0.53) LMNAMAOAPTGS1KCNA3SCN4A
SCHEMBL9816273 0.79 LMNA (0.50) LMNAMAOAPTGS1KCNA3SCN4A
SCHEMBL6627513 0.78 LMNA (0.46) LMNAMAOAPTGS1KCNA3SCN4A
SCHEMBL13209407 0.78 LMNA (0.59) LMNAMAOAPTGS1KCNA3SCN4A
SCHEMBL4861264 0.77 LMNA (0.63) LMNAMAOAPTGS1KCNA3SCN4A
SCHEMBL6047047 0.76 LMNA (0.56) LMNAMAOAPTGS1KCNA3SCN4A
SCHEMBL4199108 0.76 LMNA (0.62) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL12639964 0.76 SCN4A (0.55) LMNAMAOAPTGS1KCNA3SCN4A
SCHEMBL17034727 0.76 CYP2C9 (0.55) LMNAMAOAPTGS1KCNA3SCN4A
SCHEMBL28259807 0.74 LMNA (0.85) LMNAMAOAPTGS1KCNA3MTNR1A

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 LMNA 2189/4885MAOA 4054/4885PTGS1 2170/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 LMNA 2189/4885MAOA 4054/4885PTGS1 2170/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL LMNA 2566/4885MAOA 3736/4885PTGS1 1984/4885

“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.