SCHEMBL634550

SCHEMBL634550

Cc1ccc(C(=O)C(C)Br)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.60
SLC6A4 P31645 4/20 0.60
SLC6A3 Q01959 4/20 0.60
CHRNA1 P02708 2/20 0.60
CHRNG P07510 2/20 0.60
CHRNB1 P11230 2/20 0.60
CHRNB2 P17787 2/20 0.60
CHRNB4 P30926 2/20 0.60
CHRNA3 P32297 2/20 0.60
CHRNA4 P43681 2/20 0.60
CHRND Q07001 2/20 0.60
HPGD P15428 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
AGTR1 P30556 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL4104239 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL633270 0.85 TSHR (0.53) SLC6A2SLC6A4SLC6A3HPGDALDH1A1
SCHEMBL10026169 0.83 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL786551 0.81 SMN1; SMN2 (0.51) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL21331278 0.80 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL18527134 0.77 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL11674176 0.77 HPGD (0.51) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL2924706 0.77 HPGD (0.54) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL633275 0.76 CHRNA1 (0.62) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL10728309 0.76 KDM4E (0.52) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
US-7910740-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-03-22 US disclosed
EP-2155740-B1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-01-26 EP disclosed
WO-2008138753-A1 HETARYLANILINES AS MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080280948-A1 MODULATORS OF AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2008-11-13 US disclosed
US-20070265319-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-11-15 US disclosed
US-20070238768-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-10-11 US disclosed
US-20070238766-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-10-11 US disclosed
US-7230019-B2 Imidazo [2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-06-12 US disclosed
US-20070088059-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides PHARMASCIENCE INC. (CA) 2007-04-19 US disclosed
US-20070021416-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-01-25 US disclosed
US-20070021476-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides PHARMASCIENCE INC. (CA) 2007-01-25 US disclosed
US-20050069492-A1 Imidazo [2,1-b]-1,3,4-thiadiazole suflonamides PHARMASCIENCE INC. (CA) 2005-03-31 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 (11 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK SLC6A2 4304/4885SLC6A4 3600/4885SLC6A3 3833/4885
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 3/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 3/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A4 2/4885SLC6A3 3/4885
US-20070021476-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF SLC6A2 844/4885SLC6A4 1155/4885SLC6A3 364/4885
US-20070265319-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF SLC6A2 844/4885SLC6A4 1155/4885SLC6A3 364/4885
US-20070238766-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF SLC6A2 844/4885SLC6A4 1155/4885SLC6A3 364/4885
US-20070238768-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF SLC6A2 844/4885SLC6A4 1155/4885SLC6A3 364/4885
US-20080280948-A1 MODULATORS OF AMYLOID BETA APP, BACE1, BACE2 SLC6A2 1165/4885SLC6A4 2720/4885SLC6A3 2735/4885
US-20070021416-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF SLC6A2 844/4885SLC6A4 1155/4885SLC6A3 364/4885
US-20070088059-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF SLC6A2 844/4885SLC6A4 1155/4885SLC6A3 364/4885

“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.