SCHEMBL12359489

SCHEMBL12359489

NCc1ccc2c(c1)N(Cc1c[nH]cn1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
SMAD3 P84022 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33

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
SCHEMBL12359567 0.85 MTNR1A (0.37) SLC22A12TAAR1ALDH1A1MEN1KMT2A
SCHEMBL3526848 0.82 HDAC1 (0.40) SLC22A12TAAR1ALDH1A1MEN1KMT2A
SCHEMBL3530913 0.82 HTR2A (0.48) TAAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12359744 0.82 CHRM2 (0.40) SLC22A12TAAR1ALDH1A1MEN1KMT2A
SCHEMBL3531520 0.82 CHRM2 (0.45) TAAR1TRPM5HTR2CHTR2BTRPV1
SCHEMBL3528547 0.80 TRPV1 (0.40) TAAR1MAPTL3MBTL1HTR2AHTR2C
SCHEMBL12359710 0.80 SLC22A12 (0.41) SLC22A12ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12405293 0.80 HDAC1 (0.37) NCF1
SCHEMBL12359486 0.80 ITGB3 (0.35) TAAR1ITGB3ITGA2B
SCHEMBL12359480 0.80 HDAC1 (0.39) SLC22A12ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 US disclosed
US-8003624-B2 Functionally selective ALPHA2C adrenoreceptor agonists SCHERING CORPORATION (US) 2011-08-23 US disclosed
EP-1945626-B1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORP (US) 2011-07-27 EP disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 US disclosed
US-7803828-B2 Functionally selective alpha2C adrenoreceptor agonists SCHERING-PLOUGH CORPORATION (US) 2010-09-28 US disclosed
WO-2008100457-A2 FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 WO disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-01-31 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists SCHERING CORPORATION 2007-05-03 US disclosed
WO-2007024944-A1 IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 WO 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-20080027100-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A SLC22A12 2641/4885TAAR1 79/4885ALDH1A1 805/4885
US-20070099872-A1 Functionally selective alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A SLC22A12 2641/4885TAAR1 79/4885ALDH1A1 805/4885

“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.