SCHEMBL1351852

SCHEMBL1351852

CCCCN1Cc2ccccc2N2CCN(Cc3ccccc3)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ DRD3 P35462 2/20 0.43
▸ MC4R P32245 1/20 0.43
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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 0.88 DRD2 (0.55) DRD2SIGMAR1DRD3MC4RALDH1A1
SCHEMBL1352027 0.86 DRD2 (0.47) DRD2SIGMAR1DRD3MC4R
SCHEMBL1351816 0.85 MC4R (0.51) DRD2SIGMAR1DRD3MC4RCHRM2
SCHEMBL1351573 0.83 LMNA (0.55) DRD2MC4RDRD4ALDH1A1
SCHEMBL1349440 0.82 DRD2 (0.48) DRD2SIGMAR1MC4R
SCHEMBL1349832 0.82 DRD2 (0.48) DRD2SIGMAR1DRD3MC4R
SCHEMBL1351864 0.82 SIGMAR1 (0.54) DRD2SIGMAR1DRD4ALDH1A1CYP1A2
SCHEMBL1350774 0.81 DRD2 (0.49) DRD2DRD3DRD4
SCHEMBL1351299 0.81 DRD2 (0.49) DRD2SIGMAR1DRD3MC4RDRD4
SCHEMBL1349520 0.81 DRD2 (0.49) DRD2SIGMAR1DRD4ALDH1A1CYP2D6

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 56/4885SIGMAR1 149/4885DRD3 25/4885
US-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885SIGMAR1 149/4885DRD3 25/4885
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 DRD2 56/4885SIGMAR1 149/4885DRD3 25/4885

“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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