SCHEMBL336197

SCHEMBL336197

COc1ccc(C(C)NC(C)CCN)cc1CC#N

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
ADRA1A P35348 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 3/20 0.33
CASR P41180 2/20 0.32
BCDIN3D Q7Z5W3 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL19737446 0.77 CYP1A2 (0.46) CYP1A2ACHEPDE4APDE4BPDE4C
SCHEMBL336196 0.72 CYP1A2 (0.36) CYP1A2ACHEADRA1ATAAR1PDE4A
SCHEMBL4522555 0.68 KDM4E (0.56) ADRA1ATAAR1LMNAHTR2A
Hydrochloric Acid SCHEMBL28898440 0.68 KMT2A (0.47) CA1CA2ACHETAAR1LMNA
SCHEMBL26622106 0.67 TAAR1 (0.54) ADRA1ATAAR1HTR2A
SCHEMBL2990425 0.66 SLC6A4 (0.43) HTR2A
SCHEMBL11825653 0.66 IDO1 (0.56) CA1CA2ADRA1ATAAR1HTR2A
SCHEMBL5479089 0.66 ACHE (0.50) ACHELMNAAR
SCHEMBL30861233 0.66 IDO1 (0.56) CA1CA2ADRA1ATAAR1HTR2A
SCHEMBL4171690 0.65 KDM4E (0.50) LMNA

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 CYP1A2 1928/4885CA1 3677/4885CA2 3065/4885

“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.