SCHEMBL16477343

SCHEMBL16477343

CC[C@@H]1C[C@H]1c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.66
HTR2B P41595 6/20 0.66
HTR2A P28223 5/20 0.66
SLC6A2 P23975 2/20 0.66
SLC6A4 P31645 2/20 0.66
SLC6A3 Q01959 2/20 0.66
KDM1A O60341 2/20 0.52
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 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
SCHEMBL16590511 1.00 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL16591246 1.00 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL21503512 1.00 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL17004069 0.81 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL24429085 0.79 HTR2C (0.43) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL14697357 0.79 HTR2C (1.00) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL16585035 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL23993579 0.79 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL22334928 0.79 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL15780132 0.79 HTR2C (0.48) HTR2CHTR2BHTR2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 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 (2 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 HTR2C 1162/4885HTR2B 444/4885HTR2A 2082/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 HTR2C 1175/4885HTR2B 1433/4885HTR2A 1240/4885

“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.