SCHEMBL20515340

SCHEMBL20515340

C1=CCC(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
F2R P25116 1/20 0.35

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
SCHEMBL16654345 0.79 FAAH (0.56) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3097499 0.78 FAAH (0.54) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7504454 0.75 FAAH (0.52) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL31019207 0.75 FAAH (0.52) FAAHKDM4EALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL16825153 0.74 FAAH (0.51) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20515316 0.72 HRH3 (0.41) LMNA
SCHEMBL5752037 0.70 KDM4E (0.54) KDM4EALDH1A1HTTHSD17B10
SCHEMBL19953764 0.68 KDM1A (0.60) FAAHKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28456110 0.68 KDM4E (0.48) FAAHKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL4343778 0.68 FAAH (0.45) FAAHKDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282280-A1 QUINOLINE-BASED PROTEASOME INHIBITORS AND USES THEREOF NATIONAL SCIENCE FOUNDATION 2018-10-04 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-20180282280-A1 QUINOLINE-BASED PROTEASOME INHIBITORS AND USES THEREOF PSME1, PSMB1, PSME3 FAAH 2203/4885KDM4E 1048/4885ALDH1A1 3556/4885

“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.