SCHEMBL3626562

SCHEMBL3626562

c1ccc(C[N]Cc2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HRH1 P35367 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
ABCB1 P08183 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL1043027 0.89 HRH1 (0.54) CYP1A2MAOAMAOBHRH1TDP1
SCHEMBL3132125 0.79 HRH3 (0.46) CYP1A2MAOAMAOBHRH1TDP1
SCHEMBL21985094 0.78 HRH1 (0.52) CYP1A2MAOAMAOBHRH1TDP1
SCHEMBL1653 0.76 ALDH1A1 (0.55) CYP3A4MAOBTDP1SMN1; SMN2GRIN2D
SCHEMBL64435 0.76 L3MBTL1 (0.68) CYP1A2CYP3A4CYP2D6MAOAMAOB
SCHEMBL29373231 0.76 L3MBTL1 (0.68) CYP1A2CYP3A4CYP2D6MAOAMAOB
SCHEMBL10630168 0.75 HRH1 (0.41) MAOAMAOBHRH1TDP1MAPT
SCHEMBL8519867 0.75 HRH1 (0.41) MAOAMAOBHRH1TDP1MAPT
SCHEMBL1760766 0.74 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6HRH1TDP1
SCHEMBL1140168 0.74

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-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
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 2185/4885CYP3A4 1991/4885CYP2D6 1131/4885
US-20090176993-A1 Calcium receptor active compounds CASR, CALCR, CACNA1E CYP1A2 2127/4885CYP3A4 2325/4885CYP2D6 1873/4885
US-20030176485-A1 Calcium receptor active compounds CASR, CNR1, CALCR CYP1A2 2113/4885CYP3A4 1814/4885CYP2D6 1078/4885

“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.