SCHEMBL9918355

SCHEMBL9918355

Cc1ccc(N2C3CCC2CC(C(C)C)C3)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
HSP90AA1 P07900 9/20 0.34
HSP90AB1 P08238 9/20 0.34
OGA O60502 1/20 0.33
PANK3 Q9H999 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33

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
SCHEMBL25678506 0.84 GRIN2D (0.42) HRH3OPRM1OPRL1GRIN2DGRIN3B
SCHEMBL9918348 0.80 GRM5 (0.33) HSP90AA1HSP90AB1
SCHEMBL9920486 0.80 KDM4E (0.46) GPR119PANK3
SCHEMBL9920174 0.80 KDM4E (0.46) GPR119PANK3
SCHEMBL9918884 0.80 GRM5 (0.33) HSP90AA1HSP90AB1
SCHEMBL9918357 0.78 MAPT (0.52) PANK3
SCHEMBL9918882 0.77 OGA (0.35) OGA
SCHEMBL26938886 0.76 RET (0.43) HRH3OPRM1GRIN2DGRIN3BGRIN1
SCHEMBL20756763 0.75 HRH3 (0.52) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10150978 0.74 GRIN2D (0.45) HRH3GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 HRH3 3067/4885OPRM1 4194/4885OPRL1 4078/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HRH3 1462/4885OPRM1 4238/4885OPRL1 4306/4885

“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.