SCHEMBL1351983

SCHEMBL1351983

Fc1ccc(CN2Cc3ccccc3N3CCN(Cc4ccccc4)CC3C2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.47
▸ DRD4 P21917 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ SIGMAR1 Q99720 4/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 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
SCHEMBL1351559 0.90 DRD2 (0.44) DRD2DRD4SIGMAR1HTR1A
SCHEMBL1350774 0.90 DRD2 (0.49) DRD2DRD4
SCHEMBL1351856 0.89 DRD2 (0.55) DRD2ALDH1A1SIGMAR1HTR1A
SCHEMBL1351864 0.88 SIGMAR1 (0.54) DRD2DRD4ALDH1A1SIGMAR1
SCHEMBL1351531 0.87 DRD2 (0.47) DRD2DRD4SIGMAR1HTR1A
SCHEMBL1351067 0.87 SIGMAR1 (0.57) DRD2DRD4ALDH1A1SIGMAR1HTR1A
SCHEMBL1351147 0.86 KMT2A (0.58) DRD2DRD4SIGMAR1HTR1A
SCHEMBL1351573 0.85 LMNA (0.55) DRD2DRD4ALDH1A1POLB
SCHEMBL1349520 0.85 DRD2 (0.49) DRD2DRD4ALDH1A1SIGMAR1HTT
SCHEMBL1351299 0.85 DRD2 (0.49) DRD2DRD4POLBSIGMAR1HTR1A

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 56/4885DRD4 112/4885ALDH1A1 1013/4885
US-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885DRD4 112/4885ALDH1A1 1013/4885
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885DRD4 112/4885ALDH1A1 1013/4885

“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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