SCHEMBL9963994

SCHEMBL9963994

COc1ccc2c(c1)CC[C@@H]1NCCCC21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.60
ADRA1A P35348 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SRD5A1 P18405 2/20 0.48
HTR2C P28335 1/20 0.48
DRD2 P14416 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B1 P14061 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 1/20 0.44

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
SCHEMBL1863371 1.00 HSD11B1 (0.60) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL1863366 1.00 HSD11B1 (0.60) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL15139396 1.00 HSD11B1 (0.60) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL1863369 1.00 HSD11B1 (0.60) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL1869376 1.00 HSD11B1 (0.60) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL9963998 1.00 HSD11B1 (0.60) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL9520551 0.93 HSD11B1 (0.52) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL1865117 0.92 HSD11B1 (0.55) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL15139433 0.92 HSD11B1 (0.55) HSD11B1ADRA1AMEN1KMT2ASRD5A1
SCHEMBL1876632 0.92 HSD11B1 (0.55) HSD11B1ADRA1AMEN1KMT2ASRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20140249174-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-04 US disclosed
US-20140031544-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 US disclosed
US-8497281-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2013-07-30 US disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 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 (5 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-20140031544-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 HSD11B1 3/4885ADRA1A 376/4885MEN1 4195/4885
US-20140249174-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 HSD11B1 3/4885ADRA1A 376/4885MEN1 4195/4885
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 HSD11B1 3/4885ADRA1A 376/4885MEN1 4195/4885
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 HSD11B1 3/4885ADRA1A 376/4885MEN1 4195/4885
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 HSD11B1 3/4885ADRA1A 376/4885MEN1 4195/4885

“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.