SCHEMBL3626599

SCHEMBL3626599

c1ccc(C[N]Cc2ccco2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
PKM P14618 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPK10 P53779 1/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
G6PC1 P35575 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL843370 0.87 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9040940 0.77
SCHEMBL1653 0.76 ALDH1A1 (0.55) ALDH1A1TSHRHPGDTP53SMN1; SMN2
SCHEMBL596315 0.76 CALM1 (0.50) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL719865 0.74 L3MBTL1 (0.46) MAPTALDH1A1NPSR1L3MBTL1HPGD
Hydrogen Sulfide SCHEMBL5079696 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRHPGDTP53
SCHEMBL11441748 0.72 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL919246 0.71
SCHEMBL13660532 0.71
SCHEMBL15279098 0.71

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
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-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-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 (2 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 MAPT 4631/4885ALDH1A1 3470/4885MEN1 3590/4885
US-20090176993-A1 Calcium receptor active compounds CASR, CALCR, CACNA1E MAPT 4626/4885ALDH1A1 3327/4885MEN1 3325/4885

“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.