SCHEMBL1351147

SCHEMBL1351147

c1ccc(CN2CCN3c4ccccc4CN(Cc4ccc5ccccc5c4)CC3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.58
▸ DRD2 P14416 3/20 0.47
▸ CHKA P35790 1/20 0.45
▸ SIGMAR1 Q99720 3/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ DRD4 P21917 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ MC4R P32245 1/20 0.42
▸ MC5R P33032 1/20 0.42

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
SCHEMBL1351856 0.89 DRD2 (0.55) DRD2SIGMAR1OPRM1OPRL1ACHE
SCHEMBL1351983 0.86 DRD2 (0.47) DRD2SIGMAR1DRD4HTR1A
SCHEMBL1351864 0.86 SIGMAR1 (0.54) KMT2ADRD2SIGMAR1ACHEDRD4
SCHEMBL1351067 0.85 SIGMAR1 (0.57) DRD2SIGMAR1DRD4HTR1A
SCHEMBL1351573 0.85 LMNA (0.55) KMT2ADRD2ACHEDRD4MC4R
SCHEMBL1350774 0.85 DRD2 (0.49) DRD2ACHEDRD4
SCHEMBL1349520 0.85 DRD2 (0.49) DRD2SIGMAR1ACHEDRD4
SCHEMBL1351299 0.85 DRD2 (0.49) DRD2SIGMAR1OPRM1OPRL1DRD4
SCHEMBL1348893 0.85 DRD2 (0.49) DRD2SIGMAR1ACHEDRD4HTR1A
SCHEMBL1351823 0.84 SIGMAR1 (0.58) KMT2ADRD2SIGMAR1DRD4

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 KMT2A 1980/4885DRD2 56/4885CHKA 2929/4885
US-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 KMT2A 1980/4885DRD2 56/4885CHKA 2929/4885
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 KMT2A 1980/4885DRD2 56/4885CHKA 2929/4885

“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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