SCHEMBL8404656

SCHEMBL8404656

CCN1CCC(c2cccs2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
BRD4 O60885 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DRD2 P14416 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL14163064 0.93 HTT (0.42) TSHRHTTKDM4EBRD4ALDH1A1
SCHEMBL23951352 0.80 ACHE (0.49) ALDH1A1KMT2ADRD2CHRM2CHRM3
SCHEMBL14067274 0.79 TSHR (0.42) TSHRHTTKDM4EBRD4ALDH1A1
SCHEMBL10079150 0.77 SLC6A2 (0.49) TSHRHTTKDM4EBRD4ALDH1A1
SCHEMBL9654472 0.76 CCR5 (0.39) TSHRBRD4ALDH1A1MAPTLMNA
SCHEMBL8137083 0.75 MAPT (0.38) TSHRHTTKDM4EBRD4ALDH1A1
SCHEMBL7014692 0.75 KDM4E (0.37) TSHRHTTKDM4EBRD4ALDH1A1
SCHEMBL497608 0.73
SCHEMBL9305345 0.72 CHRM2 (0.44) TSHRHTTKDM4EBRD4ALDH1A1
SCHEMBL28113739 0.72 HRH3 (0.51) TSHRLMNAKMT2ASMN1; SMN2

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-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 TSHR 4670/4885HTT 71/4885KDM4E 1663/4885

“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.