SCHEMBL823057

SCHEMBL823057

CN[C@@H]1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.61
MTNR1B P49286 4/20 0.61
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
GRIN2B Q13224 5/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
SIGMAR1 Q99720 2/20 0.50
PDPK1 O15530 1/20 0.50
PLAU P00749 1/20 0.50
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL29599386 1.00 MTNR1A (0.61) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL4606877 1.00 MTNR1A (0.61) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL823055 1.00 MTNR1A (0.61) MTNR1AMTNR1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7430755 0.98 MTNR1A (0.59) MTNR1AMTNR1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL1026136 0.98 MTNR1A (0.59) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL714537 0.84 SIGMAR1 (0.53) MTNR1AMTNR1BDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL1027335 0.82 SIGMAR1 (0.52) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL7838746 0.79 MTNR1A (0.61) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL459537 0.79 GRIN2B (0.65) MTNR1AMTNR1BMAOAMAOBGRIN2B
SCHEMBL25909439 0.79 GRIN2B (0.56) MTNR1AMTNR1BMAOAMAOBGRIN2B

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-8053603-B2 Tetralone-based monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2011-11-08 US disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20070197588-A1 Tetralone-based monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-23 US disclosed
EP-0817767-B1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-05-24 EP disclosed
US-6008219-A Bicyclic amine derivatives and their use as anti-psychotic agents SMITHKLINE BEECH P.L.C. (GB) 1999-12-28 US disclosed
EP-0817767-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-01-14 EP disclosed
WO-1996030333-A1 BICYCLIC AMINE DERIVATIVES AND THEIR USE AS ANTI-PSYCHOTIC AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-10-03 WO disclosed
WO-1992007821-A1 DIASTEREOISOMERS OF BICYCLO-SUBSTITUTED PHENYLACETONITRILE DERIVATIVES G.D. SEARLE & CO. (US) 1992-05-14 WO 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 (1 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-20070197588-A1 Tetralone-based monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC6A3 MTNR1A 496/4885MTNR1B 416/4885DRD2 112/4885

“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.