SCHEMBL770793

SCHEMBL770793

CCC(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
SLC6A2 P23975 1/20 0.47
CHRNB4 P30926 1/20 0.47
SLC6A4 P31645 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHRND Q07001 1/20 0.47
ATM Q13315 1/20 0.46
HPGD P15428 5/20 0.45
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 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
SCHEMBL883208 0.85 GSK3B (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL20018287 0.85 HPGD (0.62) ATMHPGDMAPTSMN1; SMN2L3MBTL1
SCHEMBL27803947 0.84 ATM (0.49) ATMHPGDMAPTSMN1; SMN2L3MBTL1
SCHEMBL18356295 0.83 GSK3B (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL10257783 0.83 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7701905 0.82 ALDH1A1 (0.53) ATMHPGDMAPTSMN1; SMN2L3MBTL1
SCHEMBL7820983 0.81 CHRNA1 (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL13623664 0.81 ATM (0.46) ATMHPGDMAPTSMN1; SMN2L3MBTL1
SCHEMBL22257233 0.80 ALDH1A1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL27581493 0.79 HTT (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
US-20090221645-A1 Dihydroimidazothiazole Derivatives PROSIDION LIMITED (GB) 2009-09-03 US disclosed
EP-1359136-A2 Polymeric resin compounds and their preparation Aventis Pharmaceuticals Products Inc. (US) 2003-11-05 EP disclosed
US-20030195259-A1 Triaromatic vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-10-16 US disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO disclosed
US-20020183558-A1 Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds AVENTIS PHARMACEUTICALS INC. 2002-12-05 US disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
US-6392010-B1 FLUOROPHENYL HYDROXYLAMINE RESIN AVENTIS PHARMACEUTICALS INC. 2002-05-21 US disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed
US-6133409-A REACTING A SOLID SUPPORT-BOUND N-ALKYLATED HYDROXAMIC ACID WITH A CARBON-NITROGEN CLEAVING ORGANOMETALLIC COMPUND TO LIBERATE THE PRODUCT KETONE AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-17 US disclosed
CN-1089944-A The N-Benzanilide derivatives GLAXO GROUP LTD (GB) 1994-07-27 CN disclosed
CN-1071922-A The N-Benzanilide derivatives GLAXO GROUP LTD (GB) 1993-05-12 CN 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 (8 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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 CHRNA1 186/4885CHRNG 477/4885CHRNB1 168/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 CHRNA1 186/4885CHRNG 477/4885CHRNB1 168/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 CHRNA1 186/4885CHRNG 477/4885CHRNB1 168/4885
US-20090221645-A1 Dihydroimidazothiazole Derivatives TPH1, HTR3B, HTR1A CHRNA1 136/4885CHRNG 509/4885CHRNB1 175/4885
US-20030195259-A1 Triaromatic vitamin D analogues CYP24A1, CYP2R1, VDR CHRNA1 4107/4885CHRNG 4467/4885CHRNB1 3790/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 CHRNA1 4394/4885CHRNG 4459/4885CHRNB1 4694/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHRNA1 4393/4885CHRNG 4429/4885CHRNB1 4735/4885
US-20020183558-A1 Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds OGDH, OXGR1, ALDH7A1 CHRNA1 2074/4885CHRNG 2807/4885CHRNB1 2589/4885

“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.