SCHEMBL81500

SCHEMBL81500

Cc1ccc(C2CCN(C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.56
SLC18A3 Q16572 1/20 0.54
LSS P48449 1/20 0.51
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
DRD2 P14416 2/20 0.46
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL19992500 0.92 SLC18A3 (0.53) QDPRSLC18A3LSSSCN1ASCN2A
SCHEMBL14544198 0.88 RAB9A (0.50) QDPRSLC18A3LSSHTTRAB9A
SCHEMBL27363346 0.85 CCR2 (0.50) QDPRSLC18A3LSSDRD2
SCHEMBL23870302 0.82 SLC18A3 (0.51) QDPRSLC18A3LSSHTTRAB9A
SCHEMBL12902384 0.82 QDPR (0.41) QDPRSLC18A3LSSSCN1ASCN2A
SCHEMBL20231202 0.81 SLC18A3 (0.54) QDPRSLC18A3HTTRAB9AALDH1A1
SCHEMBL1405569 0.81 ESR2 (0.50) SLC18A3HTTRAB9AALDH1A1HTR2A
SCHEMBL4876633 0.81 QDPR (0.55) QDPRLSSDRD2HDAC3HDAC4
SCHEMBL7239508 0.81 LSS (0.73) QDPRSLC18A3LSSDRD2
SCHEMBL1925616 0.81 QDPR (0.55) QDPRLSSDRD2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400505-A1 PEPTIDE-UREA DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF Bivision Pharmaceuticals, Inc (CN) 2024-07-17 EP disclosed
EP-4289835-A1 CDK INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2023-12-13 EP disclosed
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
WO-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
EP-3838898-B1 ISOINDOLIN-1-ONE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS AN EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-06-07 EP disclosed
WO-2023088406-A1 FUSED IMIDE DERIVATIVE 正大天晴药业集团股份有限公司 2023-05-25 WO disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
US-20080119515-A1 Heterocyclic Kinase Inhibitors: Methods of Use and Synthesis SCHERING CORPORATION 2008-05-22 US disclosed
US-20080119515-A1 Heterocyclic Kinase Inhibitors: Methods of Use and Synthesis SCHERING CORPORATION 2008-05-22 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20230322761-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN QDPR 3400/4885SLC18A3 4749/4885LSS 3469/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 QDPR 670/4885SLC18A3 3764/4885LSS 3278/4885
US-20080119515-A1 Heterocyclic Kinase Inhibitors: Methods of Use and Synthesis MAP3K20, MAP3K1, MAP3K19 QDPR 2946/4885SLC18A3 4842/4885LSS 1154/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 QDPR 4362/4885SLC18A3 4779/4885LSS 3225/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 QDPR 345/4885SLC18A3 976/4885LSS 3913/4885

“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.