SCHEMBL6817359

SCHEMBL6817359

Cc1cn(Cl)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.43
KDM4E B2RXH2 2/20 0.42
NQO2 P16083 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR6 P50406 1/20 0.41
GPR3 P46089 1/20 0.41
CYP1A2 P05177 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
MAPT P10636 1/20 0.38
SLC6A4 P31645 2/20 0.38
FABP4 P15090 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL3841620 0.79 HTR6 (0.46) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL146530 0.74 GPR84 (0.57) KDM4ENQO2KMT2AGPR3ALKBH5
SCHEMBL29473770 0.74 GPR84 (0.57) KDM4ENQO2KMT2AGPR3ALKBH5
SCHEMBL2957635 0.74 SLC6A2 (0.41) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL8927744 0.73 MEN1 (0.46) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL6114157 0.73 SLC6A2 (0.43) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL2790587 0.73 SLC6A2 (0.43) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL27324374 0.73 SLC6A2 (0.43) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL14141407 0.73 SLC6A2 (0.43) SLC6A2KDM4ENQO2MEN1KMT2A
SCHEMBL151528 0.73 IDO1 (0.40) KDM4EMEN1KMT2AGPR3CYP1A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103339111-B Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG (CH) 2015-12-16 CN claimed
CN-104854087-A As P2X7Indole carboxamide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-08-19 CN claimed
US-10876068-B2 2,3,6-trimethylcyclohexanol as a scenting and/or flavoring agent SYMRISE AG (DE) 2020-12-29 US disclosed
CN-104725295-B Aromatic heterocyclic derivatives and its application on drug 广东东阳光药业有限公司 2019-05-24 CN disclosed
CN-105555763-A Indole-carboxamide derivatives HOFFMANN LA ROCHE 2016-05-04 CN disclosed
CN-105246895-A Piperazino [1, 2-a ] indol-1-ones and [1, 4] diaza-o [1, 2-a ] indol-1-ones HOFFMANN LA ROCHE 2016-01-13 CN disclosed
CN-104854087-A As P2X7Indole carboxamide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2015-08-19 CN disclosed
CN-104725295-A Aromatic heterocycle derivatives and application thereof to drugs GUANGDONG HEC PHARMACEUTICAL 2015-06-24 CN disclosed
CN-104540829-A Piperazino[1,2-a]indol-1-ones and [1,4]diazepino[1,2-a]indol-1-one HOFFMANN LA ROCHE 2015-04-22 CN disclosed
EP-0888543-A4 AZATIDE PEPTIDOMIMETICS SCRIPPS RESEARCH INST (US) 2004-04-07 EP disclosed
US-6664372-B1 Solution phase synthesis on a soluble homopolymer support by reacting tert-butoxycarbonyl-protected aza-amino acids with bis(pentafluorophenyl) carbonate as carbonyl activation element and coupling to support; combinatorial chemistry THE SCRIPPS RESEARCH INSTITUTE 2003-12-16 US disclosed
EP-0888543-A1 AZATIDE PEPTIDOMIMETICS The Scripps Research Institute (US) 1999-01-07 EP disclosed
WO-1997035199-A9 AZATIDE PEPTIDOMIMETICS 1997-12-11 WO disclosed
WO-1997035199-A1 AZATIDE PEPTIDOMIMETICS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-09-25 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 (1 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-10876068-B2 2,3,6-trimethylcyclohexanol as a scenting and/or flavoring agent TAS2R3, TAS2R5, TAS2R13 SLC6A2 2986/4885KDM4E 865/4885NQO2 2596/4885

“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.