SCHEMBL5517199

SCHEMBL5517199

COc1ccc(CC(C)(C)NCCCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 10/20 0.55
SIGMAR1 Q99720 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL5519885 0.96 CASR (0.56) CASRSIGMAR1TDP1L3MBTL1PLAAT3
SCHEMBL5527612 0.90 CASR (0.59) CASRPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5521284 0.85 CASR (0.64) CASRL3MBTL1
SCHEMBL6439235 0.83 CASR (0.65) CASRALDH1A1
Hydrochloric Acid SCHEMBL27510065 0.82 CASR (0.49) CASR
Hydrochloric Acid SCHEMBL5512676 0.82 CASR (0.64) CASRALDH1A1
SCHEMBL5516663 0.81 CASR (0.58) CASRALDH1A1
SCHEMBL5524136 0.80 CASR (0.76) CASRTDP1L3MBTL1
SCHEMBL5511591 0.79 CASR (0.74) CASRTDP1L3MBTL1
SCHEMBL14383063 0.79 CASR (0.70) CASR

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 2/4885SIGMAR1 2059/4885TDP1 4759/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 CASR 2/4885SIGMAR1 2059/4885TDP1 4759/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL CASR 2/4885SIGMAR1 1890/4885TDP1 4636/4885

“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.