SCHEMBL335282

SCHEMBL335282

CC(NCCN)c1ccn(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SMPD1 P17405 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
CASR P41180 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL18575578 0.77 HTR1A (0.50) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL10244071 0.74 TSHR (0.36) CHRM2HTR1AADRA2AADORA3CHRM1
SCHEMBL1132349 0.72 CYP3A4 (0.66) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL3927833 0.72 CYP3A4 (0.66) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL4706959 0.72 CYP3A4 (0.66) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL335165 0.71 OPRM1 (0.40) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL24814002 0.71
SCHEMBL18575542 0.71 CASR (0.48) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL18575438 0.71 SMN1; SMN2 (0.47) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL7995440 0.70 TAAR1 (0.41) CYP3A4CHRM2HTR1AADRA2AADORA3

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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 (1 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CYP3A4 1107/4885CHRM2 3989/4885HTR1A 1818/4885

“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.