SCHEMBL3617804

SCHEMBL3617804

CN1CCC(Oc2ccc(Br)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.49
DGAT1 O75907 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
NAMPT P43490 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
PIK3CA P42336 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL1926965 0.85 IL1B (0.43) TDO2DGAT1
SCHEMBL8515851 0.85 DGAT1 (0.49) TDO2DGAT1HRH3NAMPTFPR2
SCHEMBL15633157 0.85 DGAT1 (0.49) TDO2DGAT1ALDH1A1HRH3
SCHEMBL15646947 0.84 DGAT1 (0.42) TDO2DGAT1
SCHEMBL13432215 0.83 TDO2 (0.50) TDO2HRH3NAMPTFPR2PROKR1
SCHEMBL31688823 0.82 TDO2 (0.54) TDO2DGAT1ALDH1A1HRH3FPR2
SCHEMBL1929289 0.82 HRH3 (0.48) DGAT1HRH3
SCHEMBL6628916 0.82 DGAT1 (0.47) TDO2DGAT1ALDH1A1HRH3NAMPT
SCHEMBL30296157 0.82 DGAT1 (0.47) TDO2DGAT1HRH3NAMPT
SCHEMBL1928105 0.82 DGAT1 (0.47) TDO2DGAT1ALDH1A1HRH3NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712969-A1 CYCLIN INHIBITORS Circle Pharma, Inc. (US) 2026-03-25 EP disclosed
US-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 US disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2024-05-23 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2021-03-04 US disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 WO disclosed
WO-2014062733-A2 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-04-24 WO disclosed
WO-2014062733-A2 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-04-24 WO disclosed
US-8692018-B2 Application of iridium complexes in asymmetric catalytic hydrogenation of unsaturated carboxylic acids Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-04-08 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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 (6 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-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 TDO2 3358/4885DGAT1 3002/4885ALDH1A1 2367/4885
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL TDO2 315/4885DGAT1 3770/4885ALDH1A1 358/4885
US-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 TDO2 2124/4885DGAT1 1116/4885ALDH1A1 80/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL TDO2 315/4885DGAT1 3770/4885ALDH1A1 358/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TDO2 3542/4885DGAT1 4613/4885ALDH1A1 4472/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL TDO2 315/4885DGAT1 3770/4885ALDH1A1 358/4885

“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.