SCHEMBL9966795

SCHEMBL9966795

C[C@H](NC(=O)C1CC1)c1ccc(Br)cc1

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.88
ACACB O00763 6/20 0.71
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
GAA P10253 1/20 0.63
RECQL P46063 1/20 0.62
LMNA P02545 1/20 0.56

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
SCHEMBL2184973 1.00 POLB (0.88) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL798361 1.00 POLB (0.88) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL15022586 0.85 ACACB (0.73) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL15022588 0.85 ACACB (0.73) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL256318 0.83 ACACB (1.00) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL19200906 0.83 ACACB (0.71) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL807909 0.83 ACACB (0.71) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL15038846 0.83 RECQL (0.87) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL14314483 0.83 RECQL (0.87) POLBACACBHPGDSMN1; SMN2GAA
SCHEMBL19884283 0.83 RECQL (0.87) POLBACACBHPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
US-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-9867375-B2 Methods of pest control in soybean SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 US disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
CN-102844299-B Desinsection aryl-pyrrolidine alkane BAYER CROPSCIENCE AG (DE) 2016-03-30 CN disclosed
WO-2016041845-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-24 WO disclosed
US-20130165444-A1 Piperidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 US disclosed
CN-102844299-A Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG 2012-12-26 CN disclosed
US-20120322833-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
US-20120322833-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-20 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
WO-2011080211-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-07-07 WO 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-20180098542-A1 METHODS OF PEST CONTROL IN SOYBEAN BTF3, BRS3, CCNB3 POLB 2981/4885ACACB 746/4885HPGD 4055/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 POLB 2247/4885ACACB 2721/4885HPGD 123/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G POLB 3694/4885ACACB 2257/4885HPGD 177/4885
US-20120322833-A1 Pesticidal Arylpyrrolidines DDT, CYP4X1, CHRM2 POLB 4785/4885ACACB 4402/4885HPGD 2141/4885
US-20130165444-A1 Piperidine Derivatives PPARD, FABP4, PLIN5 POLB 1543/4885ACACB 74/4885HPGD 1806/4885

“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.