SCHEMBL13747792

SCHEMBL13747792

CCSc1ccccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
FAAH O00519 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL1424464 0.83 TSHR (0.35) NOS3NOS1NOS2TSHRLMNA
SCHEMBL19705414 0.83 TSHR (0.53) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL29324813 0.81 MAOA (0.43) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL15617285 0.81 GABRA1 (0.40) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL27993344 0.79 MAOA (0.38) NOS3NOS1NOS2LMNACYP3A4
SCHEMBL9793625 0.78 S100A4 (0.41) TSHRLMNAHPGDBLMS100A4
SCHEMBL27993112 0.78 MAOA (0.41) NOS3NOS1NOS2LMNACYP3A4
SCHEMBL11080622 0.78 NOS3 (0.36) NOS3NOS1NOS2LMNAS100A4
SCHEMBL4808650 0.77 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL944019 0.77 GABRA1 (0.48) NOS3NOS1NOS2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591335-B2 Bicyclic pesticidal compounds BASF SE (DE) 2023-02-28 US disclosed
US-11570992-B2 Bicyclic compounds BASF SE (DE) 2023-02-07 US disclosed
WO-2021086044-A1 NOVEL COMPOUND FOR CROP PROTECTANT 주식회사 엘지화학 2021-05-06 WO disclosed
US-20200165255-A1 Bicyclic Pesticidal Compounds BASF SE (DE) 2020-05-28 US disclosed
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed
EP-3152216-B1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-07-24 EP disclosed
US-10294243-B2 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-21 US disclosed
US-20190104738-A1 BICYCLIC COMPOUNDS BASF CHEMICALS INDIA PVT. LTD. (IN) 2019-04-11 US disclosed
EP-3227302-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-11 EP disclosed
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
WO-2017157735-A1 SUBSTITUTED SULFONYL AMIDES FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO disclosed
US-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
US-20170101422-A1 Bicyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-04-13 US disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (11 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-20200165255-A1 Bicyclic Pesticidal Compounds DDT, ACHE, CYCS NOS3 1237/4885NOS1 1999/4885NOS2 1938/4885
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NOS3 1425/4885NOS1 1206/4885NOS2 1416/4885
US-11591335-B2 Bicyclic pesticidal compounds DDT, ACHE, CYCS NOS3 1237/4885NOS1 1999/4885NOS2 1938/4885
US-20190104738-A1 BICYCLIC COMPOUNDS CYP1B1, CYCS, CYP11B2 NOS3 2441/4885NOS1 2622/4885NOS2 2558/4885
US-11570992-B2 Bicyclic compounds CYP1B1, CYCS, CYP11B2 NOS3 2441/4885NOS1 2622/4885NOS2 2558/4885
US-10294243-B2 Bicyclic compounds as pesticides DDT, BCHE, CYCS NOS3 3222/4885NOS1 4089/4885NOS2 3988/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 NOS3 3961/4885NOS1 4395/4885NOS2 4267/4885
US-20170101422-A1 Bicyclic compounds as pesticides DDT, BCHE, CYCS NOS3 3222/4885NOS1 4089/4885NOS2 3988/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NOS3 1425/4885NOS1 1206/4885NOS2 1416/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 NOS3 1425/4885NOS1 1206/4885NOS2 1416/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NOS3 1425/4885NOS1 1206/4885NOS2 1416/4885

“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.