SCHEMBL1865836

SCHEMBL1865836

c1ccc2c(c1)CCC1NCCCC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
HSD11B1 P28845 1/20 0.58
DRD1 P21728 1/20 0.47
ADRA1A P35348 2/20 0.47
PRCP P42785 3/20 0.45
GAA P10253 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
SCHEMBL1865831 1.00 DRD2 (0.59) DRD2HSD11B1DRD1ADRA1APRCP
SCHEMBL15139476 1.00 DRD2 (0.59) DRD2HSD11B1DRD1ADRA1APRCP
SCHEMBL9964001 1.00 DRD2 (0.59) DRD2HSD11B1DRD1ADRA1APRCP
SCHEMBL1865834 1.00 DRD2 (0.59) DRD2HSD11B1DRD1ADRA1APRCP
SCHEMBL9963997 1.00 DRD2 (0.59) DRD2HSD11B1DRD1ADRA1APRCP
SCHEMBL1870363 1.00 DRD2 (0.59) DRD2HSD11B1DRD1ADRA1APRCP
SCHEMBL15139479 1.00 DRD2 (0.59) DRD2HSD11B1DRD1ADRA1APRCP
Hydrochloric Acid SCHEMBL696938 0.98 DRD2 (0.57) DRD2HSD11B1DRD1ADRA1APRCP
Hydrochloric Acid SCHEMBL696939 0.98 DRD2 (0.57) DRD2HSD11B1DRD1ADRA1APRCP
SCHEMBL1721627 0.95 DRD2 (0.54) DRD2HSD11B1DRD1ADRA1APRCP

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496559-B1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS VITAE PHARMACEUTICALS INC (US) 2018-01-10 EP disclosed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 US disclosed
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 US disclosed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9120769-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-01 US disclosed
US-9120769-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-01 US disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 US disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 US disclosed
WO-2011057054-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE VITAE PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
WO-2011057054-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE VITAE PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
US-6080752-A FOR TREATING CONDITION WHICH REQUIRES ANTAGONISM OF A DOPAMINE RECEPTOR SUCH AS PSYCHTIC CONDITION SMITHKLINE BEECHAM PLC (GB) 2000-06-27 US disclosed
EP-0906284-A1 TRICYCLIC AMINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997047602-A1 TRICYCLIC AMINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1997-12-18 WO disclosed
EP-0246633-B1 Trans-benzopyran-[4,3-b]-1,4-oxazine derivatives WARNER-LAMBERT COMPANY (US) 1991-01-02 EP disclosed
US-4792548-A Trans-benzopyran-(4,3-b)-1,4-oxazine derivatives, intermediates and pharmaceutical use WARNER-LAMBERT COMPANY (US) 1988-12-20 US disclosed
EP-0246633-A1 Trans-benzopyran-[4,3-b]-1,4-oxazine derivatives WARNER-LAMBERT COMPANY (US) 1987-11-25 EP 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 (2 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-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 DRD2 322/4885HSD11B1 3/4885DRD1 235/4885
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 DRD2 322/4885HSD11B1 3/4885DRD1 235/4885

“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.