SCHEMBL2887057

SCHEMBL2887057

c1ccc2c3c([nH]c2c1)C1CCCN1CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.67
ADRA1D P25100 2/20 0.66
ADRA1A P35348 2/20 0.66
ADRA1B P35368 2/20 0.66
BRD3 Q15059 1/20 0.52
CYP2D6 P10635 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ADRA2C P18825 1/20 0.50
TOP1 P11387 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GRIN2B Q13224 1/20 0.48
POLB P06746 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
SCHEMBL30363160 1.00 CHRNA7 (0.67) CHRNA7ADRA1DADRA1AADRA1BBRD3
SCHEMBL30363084 1.00 CHRNA7 (0.67) CHRNA7ADRA1DADRA1AADRA1BBRD3
Desbromoarborescidine A SCHEMBL30363173 0.96 CHRNA7 (0.66) CHRNA7ADRA1DADRA1AADRA1BBRD3
Desbromoarborescidine A SCHEMBL29002756 0.96 CHRNA7 (0.66) CHRNA7ADRA1DADRA1AADRA1BBRD3
Desbromoarborescidine A SCHEMBL31662855 0.96 CHRNA7 (0.66) CHRNA7ADRA1DADRA1AADRA1BBRD3
Desbromoarborescidine A SCHEMBL5269957 0.96 CHRNA7 (0.66) CHRNA7ADRA1DADRA1AADRA1BBRD3
SCHEMBL3859034 0.94 CHRNA7 (0.64) CHRNA7ADRA1DADRA1AADRA1BBRD3
SCHEMBL29458059 0.94 CHRNA7 (0.64) CHRNA7ADRA1DADRA1AADRA1BBRD3
Desbromoarborescidine A SCHEMBL30621266 0.88 CHRNA7 (0.58) CHRNA7ADRA1DADRA1AADRA1BBRD3
SCHEMBL3867329 0.82 ADRA1A (0.61) CHRNA7ADRA1DADRA1AADRA1BBRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-9085580-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-21 US disclosed
US-9085580-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-21 US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 US disclosed
US-9079904-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-14 US disclosed
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
WO-2011038163-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 WO disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US disclosed
US-3943148-A Indole fused heterocyclic diuretic compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1976-03-09 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 (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-20130190308-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CHRNA7 60/4885ADRA1D 275/4885ADRA1A 472/4885
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 CHRNA7 30/4885ADRA1D 322/4885ADRA1A 276/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CHRNA7 60/4885ADRA1D 275/4885ADRA1A 472/4885

“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.