SCHEMBL1349584

SCHEMBL1349584

c1ccc(CN2CCN3c4ccccc4CNCC3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.54
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SIGMAR1 Q99720 3/20 0.42
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ OPRL1 P41146 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CHRM3 P20309 3/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD3 P35462 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL1351009 0.90 DRD3 (0.45) DRD2HTR2CHTR2BDRD3
SCHEMBL11594479 0.82 DRD2 (0.66) DRD2HTR2CSIGMAR1GRIN1GRIN2B
SCHEMBL1351856 0.81 DRD2 (0.55) DRD2SIGMAR1GRIN1GRIN2BMC4R
SCHEMBL8340748 0.80 DRD3 (0.58) DRD2HTR2CHTR2BSIGMAR1GRIN1
SCHEMBL1351816 0.77 MC4R (0.51) DRD2SIGMAR1GRIN1GRIN2BMC4R
SCHEMBL1350934 0.77 HTR2C (0.49) DRD2HTR2CHTR2BSIGMAR1OPRM1
SCHEMBL1351864 0.76 SIGMAR1 (0.54) DRD2SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL1351210 0.75 DRD2 (0.44) DRD2SIGMAR1GRIN1GRIN2BMC4R
SCHEMBL1351299 0.75 DRD2 (0.49) DRD2SIGMAR1GRIN1GRIN2BMC4R
SCHEMBL2017689 0.75 DRD2 (0.49) DRD2HTR2CHTR2BSIGMAR1CHRM3

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 56/4885HTR2C 96/4885HTR2B 87/4885
US-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885HTR2C 96/4885HTR2B 87/4885
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885HTR2C 96/4885HTR2B 87/4885

“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.

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