SCHEMBL13413554

SCHEMBL13413554

CCN1CC(c2ccccc2Cl)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
DPP4 P27487 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
HTT P42858 1/20 0.37
NPBWR1 P48145 1/20 0.37

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
SCHEMBL15743973 0.80 SMN1; SMN2 (0.44) SMN1; SMN2TSHRPOLBDPP4CYP3A4
SCHEMBL13394539 0.78 LMNA (0.50) SMN1; SMN2TSHRALDH1A1HPGDKMT2A
SCHEMBL22222477 0.78 LMNA (0.50) SMN1; SMN2TSHRALDH1A1HPGDKMT2A
SCHEMBL22222452 0.76 SMN1; SMN2 (0.41) SMN1; SMN2TSHRPOLBDPP4TP53
SCHEMBL13394542 0.76 SMN1; SMN2 (0.43) SMN1; SMN2TSHRPOLBDPP4TP53
SCHEMBL22222410 0.75 SRD5A1 (0.39) ALOX12ALDH1A1KDM4EHTTGRM2
SCHEMBL13413039 0.74 PDE4A (0.46) TSHRTP53ALDH1A1HPGDKDM1A
SCHEMBL13413431 0.72 HTR6 (0.49) DPP4TP53RECQLKDM1ARCOR1
SCHEMBL13413238 0.69 LMNA (0.36) ALDH1A1KDM4EHSD17B10HTTGRM2
SCHEMBL13413565 0.69 HTT (0.47) SMN1; SMN2TSHRPOLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 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 (2 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-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP SMN1; SMN2 4859/4885TSHR 2302/4885POLB 1365/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP SMN1; SMN2 4859/4885TSHR 2302/4885POLB 1365/4885

“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.