SCHEMBL1718685

SCHEMBL1718685

C[C@H](N)Cc1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.64
SLC6A2 P23975 5/20 0.64
SLC6A3 Q01959 3/20 0.64
SLC6A4 P31645 4/20 0.62
MAOA P21397 2/20 0.62
SIGMAR1 Q99720 1/20 0.62
CYP2A6 P11509 1/20 0.62
ADORA2A P29274 1/20 0.62
ADORA1 P30542 1/20 0.62

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
SCHEMBL158968 1.00 TAAR1 (0.64) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL1718675 1.00 TAAR1 (0.64) TAAR1SLC6A2SLC6A3SLC6A4MAOA
Hydrochloric Acid SCHEMBL4915836 0.98 TAAR1 (0.61) TAAR1SLC6A2SLC6A3SLC6A4MAOA
Hydrochloric Acid SCHEMBL6844193 0.98 TAAR1 (0.61) TAAR1SLC6A2SLC6A3SLC6A4MAOA
Hydrochloric Acid SCHEMBL6844192 0.98 TAAR1 (0.61) TAAR1SLC6A2SLC6A3SLC6A4MAOA
Hydrochloric Acid SCHEMBL4922092 0.98 TAAR1 (0.61) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL10872752 0.89 TAAR1 (0.76) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL10872755 0.89 TAAR1 (0.76) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL18459578 0.83 SLC6A2 (0.68) TAAR1SLC6A2SLC6A3SLC6A4MAOA
SCHEMBL15820761 0.83 SLC6A2 (0.68) TAAR1SLC6A2SLC6A3SLC6A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634401-B1 MDR reversal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP claimed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF SG CREDIT PARTNERS, INC. 2020-05-28 US disclosed
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2020-05-28 US disclosed
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2020-02-04 US disclosed
US-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2019-03-14 US disclosed
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2018-09-13 US disclosed
US-9993460-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2018-06-12 US disclosed
US-9974774-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2018-05-22 US disclosed
WO-2006040179-A1 AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2006-04-20 WO disclosed
EP-0634401-B1 MDR reversal agents AMERICAN CYANAMID CO (US) 1997-08-13 EP disclosed
EP-0611003-B1 Substituted phenyl sulfonamides as selective B3 agonists for the treatment of diabetes and obesity MERCK & CO INC (US) 1997-06-18 EP disclosed
US-5639887-A MULTIDRUG RESISTANT CELLS; INCREASE CELL SENSITIVITY TO ANTICANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1997-06-17 US disclosed
US-5561141-A POTENTIATE ACTIVITY OF ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1996-10-01 US disclosed
US-5550149-A SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
US-5451677-A Substituted phenyl sulfonamides as selective β 3 agonists for the treatment of diabetes and obesity MERCK & CO., INC. (US) 1995-09-19 US disclosed
US-5387685-A MDR reversal agents AMERICAN CYANAMID COMPANY 1995-02-07 US disclosed
EP-0634401-A1 MDR reversal agents AMERICAN CYANAMID COMPANY (US) 1995-01-18 EP disclosed
EP-0611003-A1 Substituted phenyl sulfonamides as selective B3 agonists for the treatment of diabetes and obesity MERCK & CO. INC. (US) 1994-08-17 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 (7 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-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 TAAR1 3281/4885SLC6A2 3971/4885SLC6A3 3871/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 TAAR1 3603/4885SLC6A2 3827/4885SLC6A3 3852/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 TAAR1 3281/4885SLC6A2 3971/4885SLC6A3 3871/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 TAAR1 3603/4885SLC6A2 3827/4885SLC6A3 3852/4885
US-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 TAAR1 3386/4885SLC6A2 3275/4885SLC6A3 3506/4885
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 TAAR1 3281/4885SLC6A2 3971/4885SLC6A3 3871/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 TAAR1 3386/4885SLC6A2 3275/4885SLC6A3 3506/4885

“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.