SCHEMBL10243697

SCHEMBL10243697

CCN(CCNC(=O)OC)[C@@H](C)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MTNR1A P48039 3/20 0.42
MTNR1B P49286 2/20 0.42
CES2 O00748 1/20 0.41
UTS2R Q9UKP6 4/20 0.40
MMP9 P14780 1/20 0.40
UGT2B7 P16662 1/20 0.39

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
SCHEMBL10243497 0.85 SLC22A1 (0.43) ALDH1A1CYP3A4CYP2D6MTNR1AMTNR1B
SCHEMBL10243429 0.83 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL10243851 0.83 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL10244397 0.83 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL10244037 0.83 CYP1A2 (0.46) ALDH1A1CYP3A4CYP2D6MTNR1AMTNR1B
SCHEMBL10243821 0.82 OPRK1 (0.46) TSHRMTNR1AMTNR1B
SCHEMBL10244077 0.82 CYP2C19 (0.42) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10243510 0.81 ALOX5 (0.40) ALDH1A1UTS2R
SCHEMBL10243444 0.81 RAB9A (0.45) ALDH1A1MAPTCYP2C9ALOX15TSHR
SCHEMBL10243624 0.81 ACHE (0.37) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19

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 4 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-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
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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 (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 ALDH1A1 1939/4885CYP3A4 1107/4885CYP2D6 1574/4885

“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.