SCHEMBL3854031

SCHEMBL3854031

COc1ccc2c(c1)CC(NC(C)=O)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 1.00
MTNR1B P49286 4/20 1.00
CA1 P00915 6/20 0.74
CA2 P00918 6/20 0.74
ACHE P22303 6/20 0.74
DRD2 P14416 4/20 0.60
DRD3 P35462 3/20 0.60
DRD4 P21917 2/20 0.54
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL3975748 0.94 MTNR1A (0.90) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8765749 0.92 MTNR1A (0.85) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8765743 0.92 MTNR1A (0.85) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8766448 0.84 MTNR1A (0.73) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5526850 0.81 MTNR1A (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL6523015 0.81 MTNR1A (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9669811 0.81 CA1 (0.72) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL12586121 0.81 MTNR1A (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8056603 0.81 DRD2 (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8056611 0.81 DRD2 (0.68) MTNR1AMTNR1BCA1CA2ACHE

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286516-B1 Amino-5,6,7,8-tetrahydro-naphtho[2,3b]furan derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-03-18 EP claimed
US-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES ZHAN-PLASKET FAN 2009-12-31 US disclosed
US-7576238-B2 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-24 US disclosed
EP-1745016-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-24 EP disclosed
WO-2005105737-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 WO disclosed
US-20050240049-A1 Process for the preparation of substituted tetralin and substituted indane derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-27 US disclosed
US-5151446-A Neurological disorders or cardiovascular disorders NORTHWESTERN UNIVERSITY (US) 1992-09-29 US disclosed
US-5071875-A Nervous system, psychological disorders; sleep cycle, skin dis coloration NORTHWESTERN UNIVERSITY (US) 1991-12-10 US disclosed
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP disclosed
US-4885373-A AMINE DERVIVATIVES USED AS ANTIDEPRESSANT AND DOPAMINERGIC STIMULANTS ADIR ET CIE (FR) 1989-12-05 US disclosed
US-4863951-A ANTIDEPRESSANTS, ANTIAGRESSIVES, DOPAMINERGIC PROPERTIES ADIR ET CIE (FR) 1989-09-05 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-20090326258-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED TETRALIN AND SUBSTITUTED INDANE DERIVATIVES TDO2, ITPA, TTI2 MTNR1A 4194/4885MTNR1B 3845/4885CA1 1674/4885
US-20080096962-A1 Process for the Preparation of Substituted Tetralin and Substituted Indane Derivatives TDO2, ITPA, TTI2 MTNR1A 4194/4885MTNR1B 3845/4885CA1 1674/4885
US-20050240049-A1 Process for the preparation of substituted tetralin and substituted indane derivatives TDO2, TTI2, ITPA MTNR1A 4200/4885MTNR1B 3824/4885CA1 1595/4885

“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.