SCHEMBL3436307

SCHEMBL3436307

Cc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AR P10275 5/20 0.53
GPR119 Q8TDV5 1/20 0.53
LMNA P02545 1/20 0.52
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
SMARCA2 P51531 1/20 0.52
SMARCA4 P51532 1/20 0.52
PBRM1 Q86U86 1/20 0.52
NAMPT P43490 1/20 0.51

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
SCHEMBL30185679 0.94 CKS1B (0.56) AKR1C3ALDH1A1MAPTHTTTSHR
SCHEMBL5235727 0.94 CKS1B (0.56) AKR1C3ALDH1A1MAPTHTTTSHR
SCHEMBL25003007 0.88 MAPT (0.72) ALDH1A1MAPTHTTTSHRSMN1; SMN2
SCHEMBL3704261 0.87 GAA (0.57) ALDH1A1MAPTHTTTSHRGAA
SCHEMBL17276765 0.86 CKS1B (0.55) ALDH1A1MAPTGAASMN1; SMN2GPR119
SCHEMBL30885786 0.86 ALDH1A1 (0.54) ALDH1A1MAPTGAASMN1; SMN2GPR119
SCHEMBL21995750 0.86 ALDH1A1 (0.54) ALDH1A1MAPTGAASMN1; SMN2GPR119
SCHEMBL17432816 0.85 HTR1A (0.54) AKR1C3ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL14852499 0.85 MEN1 (0.56) AKR1C3ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL2382922 0.85 GAA (0.69) ALDH1A1MAPTHTTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-11-07 US disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20180072690-A1 Methods for Making Serotonin Reuptake Inhibitors CIPLA LIMITED (IN) 2018-03-15 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
WO-2016022970-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-8207163-B2 Compositions, synthesis, and methods of using piperazine based antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 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 (9 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 AKR1C3 4450/4885ALDH1A1 4211/4885MAPT 4007/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS AKR1C3 743/4885ALDH1A1 764/4885MAPT 2288/4885
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TPH1, TPH2, GAP43 AKR1C3 1054/4885ALDH1A1 2405/4885MAPT 2025/4885
US-20180072690-A1 Methods for Making Serotonin Reuptake Inhibitors SLC6A4, SLC6A2, SLC6A3 AKR1C3 927/4885ALDH1A1 537/4885MAPT 2127/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A AKR1C3 3899/4885ALDH1A1 3052/4885MAPT 3357/4885
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D AKR1C3 1888/4885ALDH1A1 860/4885MAPT 692/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 AKR1C3 3403/4885ALDH1A1 2824/4885MAPT 3666/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A AKR1C3 3899/4885ALDH1A1 3052/4885MAPT 3357/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 AKR1C3 343/4885ALDH1A1 975/4885MAPT 1330/4885

“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.