SCHEMBL334651

SCHEMBL334651

CC(NCCN)c1ccnn1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SMPD1 P17405 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
CASR P41180 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 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
SCHEMBL12473308 0.82 SIGMAR1 (0.35) CYP3A4CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL335261 0.82 IDH1 (0.38) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL17847966 0.78 MTOR (0.46) CYP3A4ADORA3LMNAALDH1A1ALOX15
SCHEMBL10243666 0.76 KMT2A (0.36) KMT2AALDH1A1HTTPOLBL3MBTL1
SCHEMBL13359827 0.76 COMT (0.33) CYP3A4LMNACYP1A2CYP2D6CYP2C19
SCHEMBL16333487 0.73 HRH1 (0.33) ALDH1A1POLB
SCHEMBL335380 0.72 MEN1 (0.43) CYP3A4CHRM2HTR1AADRA2AADORA3
SCHEMBL25465596 0.71
SCHEMBL4314373 0.71
SCHEMBL25199078 0.71

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.