SCHEMBL1351816

SCHEMBL1351816

CN1Cc2ccccc2N2CCN(Cc3ccccc3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.51
▸ DRD2 P14416 4/20 0.51
▸ SIGMAR1 Q99720 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ CHRM2 P08172 2/20 0.40
▸ CHRM3 P20309 2/20 0.40
▸ CHKA P35790 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 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
SCHEMBL1351856 0.89 DRD2 (0.55) MC4RDRD2SIGMAR1DRD3GRIN1
SCHEMBL1351852 0.85 DRD2 (0.47) MC4RDRD2SIGMAR1DRD3CHRM2
SCHEMBL1352027 0.85 DRD2 (0.47) MC4RDRD2SIGMAR1DRD3GRIN1
SCHEMBL1351573 0.85 LMNA (0.55) MC4RDRD2LMNAPOLBDRD4
SCHEMBL1349440 0.84 DRD2 (0.48) MC4RDRD2SIGMAR1GRIN1GRIN2B
SCHEMBL1349832 0.84 DRD2 (0.48) MC4RDRD2SIGMAR1DRD3GRIN1
SCHEMBL1351864 0.84 SIGMAR1 (0.54) DRD2SIGMAR1DRD4ACHE
SCHEMBL1349520 0.82 DRD2 (0.49) DRD2SIGMAR1NPC1LMNADRD4
SCHEMBL1350774 0.82 DRD2 (0.49) DRD2DRD3DRD4ACHE
SCHEMBL1351299 0.82 DRD2 (0.49) MC4RDRD2SIGMAR1DRD3GRIN1

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 MC4R 609/4885DRD2 56/4885SIGMAR1 149/4885
US-20160052929-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 MC4R 609/4885DRD2 56/4885SIGMAR1 149/4885
US-20140163014-A1 BENZODIAZEPINE AND PYRIDODIAZEPINE DERIVATIVES GABRA3, GABRB3, GABRA1 MC4R 609/4885DRD2 56/4885SIGMAR1 149/4885

“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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