SCHEMBL1352182

SCHEMBL1352182

c1ccc(CN2CCN3c4ccccc4NCCC3C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.51
CHRM3 P20309 4/20 0.46
CHRM2 P08172 3/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACHE P22303 2/20 0.40
HTR1A P08908 2/20 0.40
BCHE P06276 1/20 0.40
BACE1 P56817 1/20 0.40
OPRL1 P41146 1/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40

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
SCHEMBL2564609 0.88 AVPR1A (0.47) DRD2CHRM3CHRM2GAASIGMAR1
SCHEMBL1350975 0.83 HTR3E (0.46) DRD2CHRM3CHRM2SIGMAR1CYP1A2
SCHEMBL1351177 0.78 DRD2 (0.55) DRD2CHRM3CHRM2GAASIGMAR1
SCHEMBL8340748 0.77 DRD3 (0.58) DRD2SIGMAR1HTR1ADRD3
SCHEMBL1350494 0.77 DRD2 (0.51) DRD2CHRM3CHRM2SIGMAR1CYP1A2
SCHEMBL1350516 0.77 MEN1 (0.50) DRD2CHRM3CHRM2MEN1GAA
SCHEMBL1350780 0.76 DRD2 (0.50) DRD2CHRM3CHRM2SIGMAR1CYP1A2
SCHEMBL693013 0.74 HTR1A (0.51) DRD2CHRM3CHRM2SIGMAR1CYP1A2
SCHEMBL13120462 0.74 HTR1A (0.51) DRD2CHRM3CHRM2SIGMAR1CYP1A2
SCHEMBL11594479 0.74 DRD2 (0.66) DRD2MEN1KMT2ASIGMAR1CYP1A2

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-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES ABBVIE INC. 2016-02-25 US claimed
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES ABBVIE INC. 2014-06-12 US claimed
US-8673896-B2 Benzodiazepine and pyridodiazepine derivatives ABBVIE INC. (US) 2014-03-18 US claimed
US-20110288069-A1 Benzodiazepine and Pyridodiazepine Derivatives ABBOTT LABORATORIES (US) 2011-11-24 US claimed
US-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES ABBVIE INC. 2016-02-25 US disclosed
US-9133206-B2 Benzodiazepine and pyridodiazepine derivatives ABBVIE INC. (US) 2015-09-15 US disclosed
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES ABBVIE INC. 2014-06-12 US disclosed
US-8673896-B2 Benzodiazepine and pyridodiazepine derivatives ABBVIE INC. (US) 2014-03-18 US disclosed
US-20110288069-A1 Benzodiazepine and Pyridodiazepine Derivatives ABBOTT LABORATORIES (US) 2011-11-24 US 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-20110288069-A1 Benzodiazepine and Pyridodiazepine Derivatives GABRA3, GABRB3, GABRA1 DRD2 56/4885CHRM3 16/4885CHRM2 18/4885
US-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885CHRM3 16/4885CHRM2 18/4885
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885CHRM3 16/4885CHRM2 18/4885

“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.