SCHEMBL1352548

SCHEMBL1352548

O=C1NCc2ccccc2N2CCN(Cc3ccc(F)cc3)CC12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.45
▸ DRD4 P21917 3/20 0.45
▸ ALDH3A1 P30838 1/20 0.45
▸ TACR1 P25103 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ DRD3 P35462 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 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
SCHEMBL1351210 0.91 DRD2 (0.44) DRD2DRD4ALDH3A1TACR1MEN1
SCHEMBL1351009 0.77 DRD3 (0.45) DRD2DRD4ALDH3A1TACR1MAPK1
SCHEMBL24152329 0.76 GSK3B (0.50) DRD2TACR1SIGMAR1ALDH1A1
SCHEMBL1352544 0.76 DRD2 (0.42) DRD2DRD4ALDH3A1TACR1GAA
SCHEMBL28980928 0.74 DRD2 (0.43) DRD2DRD4TACR1MAPK1MEN1
SCHEMBL1350774 0.72 DRD2 (0.49) DRD2DRD4TACR1MAPK1DRD3
SCHEMBL1348972 0.71 HTR2C (0.50) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL30336973 0.70 KMT2A (0.49) DRD4MEN1KMT2ASIGMAR1ACHE
SCHEMBL11447242 0.70 ALDH1A1 (0.51) DRD2DRD4GAAMAPK1MEN1
SCHEMBL22164729 0.70 LMNA (0.34) TACR1MAPK1KMT2ASIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 56/4885DRD4 112/4885ALDH3A1 1166/4885
US-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885DRD4 112/4885ALDH3A1 1166/4885
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885DRD4 112/4885ALDH3A1 1166/4885

“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.

Send feedback