SCHEMBL3623945

SCHEMBL3623945

c1ccc(C[N]Cc2cccc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2D6 P10635 2/20 0.47
SIGMAR1 Q99720 3/20 0.46
ACP3 P15309 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTNNB1 P35222 1/20 0.42
MAPK1 P28482 1/20 0.42
MC5R P33032 1/20 0.42

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
SCHEMBL6008057 0.91 CYP1A2 (0.58) CYP1A2CYP2C19TDP1CYP2C9CYP2D6
SCHEMBL7792968 0.82 CYP1A2 (0.50) CYP1A2CYP2C19TDP1CYP2C9CYP2D6
SCHEMBL8851492 0.79 CYP1A2 (0.47) CYP1A2CYP2C19TDP1CYP2C9CYP2D6
SCHEMBL147085 0.78 CYP2C19 (0.54) CYP1A2CYP2C19TDP1CYP2C9CYP2D6
SCHEMBL31738884 0.78 CYP2C19 (0.54) CYP1A2CYP2C19TDP1CYP2C9CYP2D6
SCHEMBL7235185 0.77 SIGMAR1 (0.40) CYP1A2TDP1SIGMAR1KDM4EMAPT
SCHEMBL7918863 0.77 CYP2C19 (0.52) CYP1A2CYP2C19TDP1CYP2C9CYP2D6
Hydrogen Sulfide SCHEMBL28838423 0.77 CYP2C19 (0.52) CYP1A2CYP2C19TDP1CYP2C9CYP2D6
SCHEMBL1826164 0.77 CYP1A2 (0.52) CYP1A2CYP2C19TDP1CYP2C9CYP2D6
SCHEMBL7918865 0.77 CYP2C19 (0.52) CYP1A2CYP2C19TDP1CYP2C9CYP2D6

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
US-20020107406-A1 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-08-08 US claimed
EP-0933354-A1 CALCIUM RECEPTOR-ACTIVE COMPOUNDS KIRIN BEER KABUSHIKI KAISHA (JP) 1999-08-04 EP claimed
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
JP-2007153904-A CALCIUM RECEPTOR-ACTIVE COMPOUNDS KIRIN BREWERY CO LTD 2007-06-21 JP disclosed
US-6939895-B2 Calcium receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2005-09-06 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-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 CYP1A2 2185/4885CYP2C19 1279/4885TDP1 4852/4885
US-20090176993-A1 Calcium receptor active compounds CASR, CALCR, CACNA1E CYP1A2 2127/4885CYP2C19 1610/4885TDP1 4799/4885
US-20030176485-A1 Calcium receptor active compounds CASR, CNR1, CALCR CYP1A2 2113/4885CYP2C19 1271/4885TDP1 4827/4885

“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.