SCHEMBL16477331

SCHEMBL16477331

CC(C)C1CCN(Cc2ccc3c(c2)OC(F)(F)O3)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.50
FAAH O00519 5/20 0.49
KCNH2 Q12809 1/20 0.48
DRD4 P21917 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
PDE2A O00408 1/20 0.46
CYP2D6 P10635 2/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
PIK3CA P42336 1/20 0.41
PRKAA2 P54646 1/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL16480155 0.85 HRH3 (0.53) MCHR1FAAHKCNH2DRD4JAK2
SCHEMBL6332041 0.83 FAAH (0.52) MCHR1FAAHKCNH2DRD4JAK2
Hydrochloric Acid SCHEMBL6329363 0.82 FAAH (0.51) MCHR1FAAHKCNH2DRD4JAK2
SCHEMBL2593627 0.77 FAAH (0.54) MCHR1FAAHKCNH2DRD4JAK2
SCHEMBL17099418 0.74 FAAH (0.54) MCHR1FAAHKCNH2DRD4CYP2D6
SCHEMBL2592454 0.73 FAAH (0.71) MCHR1FAAHKCNH2DRD4CYP2D6
SCHEMBL19222138 0.73 POLB (0.56) CYP2D6KDM4EMEN1KMT2A
SCHEMBL19075637 0.72 SMN1; SMN2 (0.59) MCHR1DRD4KDM4EMEN1KMT2A
SCHEMBL14708477 0.72 KDM4E (0.46) CYP2D6CHRM1TSHRKDM4EMEN1
SCHEMBL2663369 0.70 CTNNB1 (0.41) FAAHDRD4HCRTR1HCRTR2PIK3CA

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 5 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
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP 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 MCHR1 1964/4885FAAH 4144/4885KCNH2 3229/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 MCHR1 2069/4885FAAH 3476/4885KCNH2 3035/4885

“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.