SCHEMBL10054053

SCHEMBL10054053

CC1CCc2cc[nH]c2C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.34
HTR1B P28222 7/20 0.34
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 2/20 0.31
CYP2A13 Q16696 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL19113714 1.00 HTR1D (0.34) HTR1DHTR1BKMT2ACYP2A6CYP2A13
SCHEMBL13922060 0.84 KMT2A (0.34) HTR1DHTR1BKMT2ACYP2A6CYP2A13
SCHEMBL10016896 0.68 OPRM1 (0.41) HTR1DHTR1BKMT2ACYP2A6
SCHEMBL14025938 0.67
SCHEMBL11836208 0.67 ADRA1A (0.54) CYP2A6CYP2A13ALDH1A1TSHR
SCHEMBL22628861 0.67 ADRA1A (0.54) CYP2A6CYP2A13ALDH1A1TSHR
SCHEMBL15984747 0.67 CYP2A6 (0.37) KMT2ACYP2A6CYP2A13ALDH1A1TSHR
SCHEMBL12424334 0.67 DRD2 (0.43) KMT2ATSHR
SCHEMBL15147099 0.66 PLAU (0.56) TSHR
SCHEMBL598142 0.66 PLAU (0.56) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-8106051-B2 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI SHIONOGI & CO., LTD. (JP) 2012-01-31 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-7429593-B2 Utilities of amide compounds SHIONOGI & CO., LTD. (JP) 2008-09-30 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 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-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB HTR1D 357/4885HTR1B 1281/4885KMT2A 2362/4885

“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.