SCHEMBL9921755

SCHEMBL9921755

Cc1ccc(OC2CCN(C)CC2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.53
HTR2B P41595 3/20 0.53
FPR2 P25090 6/20 0.49
PROKR1 Q8TCW9 6/20 0.49
SYK P43405 1/20 0.43
RORC P51449 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
CSNK2A1 P68400 2/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 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
SCHEMBL22350849 0.91 HTR2C (0.50) HTR2CHTR2BFPR2PROKR1SCN1A
SCHEMBL14294081 0.87 RORC (0.54) HTR2CHTR2BFPR2PROKR1SYK
SCHEMBL16695295 0.86 KDM4E (0.50) HTR2CHTR2BFPR2PROKR1RORC
SCHEMBL10196595 0.84 ACHE (0.52) HTR2CHTR2BFPR2PROKR1SYK
SCHEMBL5544941 0.84 HTR2C (0.49) HTR2CHTR2BSYKSCN1ASCN2A
SCHEMBL5536788 0.84 HTR2C (0.46) HTR2CHTR2BSYKSCN1ASCN2A
SCHEMBL13678433 0.83 CSNK2A1 (0.55) HTR2CHTR2BFPR2PROKR1SYK
SCHEMBL12908030 0.83 CSNK2A1 (0.59) SYKRORCCSNK2A1
SCHEMBL3973906 0.83 KDM4E (0.49) HTR2CHTR2BFPR2PROKR1RORC
SCHEMBL14578222 0.82 CSNK2A1 (0.55) HTR2CHTR2BFPR2PROKR1CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
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 (3 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 HTR2C 4096/4885HTR2B 4492/4885FPR2 1472/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HTR2C 4577/4885HTR2B 4837/4885FPR2 1687/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HTR2C 4599/4885HTR2B 4823/4885FPR2 1601/4885

“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.