SCHEMBL1436075

SCHEMBL1436075

NCCSc1cc(Cl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP1A2 P05177 1/20 0.50
CCR2 P41597 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
IDO1 P14902 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NR2F2 P24468 1/20 0.40
LMNA P02545 1/20 0.40
UBE2N P61088 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL11200775 0.83 ITGB2 (0.48) CYP1A2CCR2IDO1TSHRALDH1A1
SCHEMBL5185226 0.82 CYP1A2 (0.49) CYP2D6CYP1A2TDP1TSHRALDH1A1
SCHEMBL18129367 0.82 CYP1A2 (0.49) CYP2D6CYP1A2TDP1TSHRALDH1A1
SCHEMBL11206840 0.78 ALDH1A1 (0.47) CYP2D6CYP1A2CCR2TDP1IDO1
SCHEMBL5576227 0.77 CYP1A2 (0.50) CYP2D6CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL5853005 0.76 HPGD (0.47) CYP2D6CYP1A2TDP1TSHRALDH1A1
SCHEMBL13321630 0.74 CYP1A2 (0.43) CYP2D6CYP1A2CCR2TDP1ALDH1A1
SCHEMBL4265450 0.73 TDP1 (0.49) CYP2D6CYP1A2TDP1ALDH1A1CYP3A4
SCHEMBL11214254 0.73 TDP1 (0.56) CYP1A2TDP1ALDH1A1CYP3A4NR2F2
SCHEMBL7268486 0.72 HPGD (0.58) CYP2D6TDP1TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933354-B1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2011-03-30 EP disclosed
US-7816408-B2 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090176993-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-6939895-B2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-09-06 US disclosed
US-6750255-B2 SUCH AS (R)-N-(1-(1'-NAPHTHYL)ETHYL)-2-(2',5'-DICHOROPHENYL THIO)ETHYLAMINE; FOR STIMULATION OF SECRETION OF PARATHYROID HORMONE NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20030176485-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2003-09-18 US disclosed
US-20030144526-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. 2003-07-31 US disclosed
US-20020107406-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-08-08 US disclosed
US-6362231-B1 MODULATOR OF PARATHYROID HORMONE; OSTEOPOROSIS NPS PHARMACEUTICALS, INC. 2002-03-26 US disclosed
EP-0933354-A1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KIRIN BEER KABUSHIKI KAISHA (JP) 1999-08-04 EP 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-20030144526-A1 Calcium receptor-active compounds CASR, CALCR, CNR1 CYP2D6 1131/4885CYP1A2 2185/4885CCR2 284/4885
US-20090176993-A1 Calcium receptor active compounds CASR, CALCR, CACNA1E CYP2D6 1873/4885CYP1A2 2127/4885CCR2 816/4885
US-20030176485-A1 Calcium receptor active compounds CASR, CNR1, CALCR CYP2D6 1078/4885CYP1A2 2113/4885CCR2 256/4885

“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.