SCHEMBL5833672

SCHEMBL5833672

NC(=O)c1ccccc1CC[CH]CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ADRB2 P07550 1/20 0.45
MAPT P10636 2/20 0.44
GPR52 Q9Y2T5 7/20 0.43
HTT P42858 1/20 0.41
FOLH1 Q04609 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL3266618 0.88 SIRT2 (0.44) SIRT2KMT2AALDH1A1ADRB2MAPT
SCHEMBL3585495 0.85 KDM4E (0.40) SIRT2KMT2AALDH1A1MAPTFOLH1
SCHEMBL940131 0.84 ALDH1A1 (0.60) SIRT2KMT2AALDH1A1ADRB2MAPT
Hydrochloric Acid SCHEMBL28193722 0.83 ALDH1A1 (0.58) SIRT2KMT2AALDH1A1ADRB2MAPT
SCHEMBL5023477 0.82 KDM4E (0.40) SIRT2KMT2AALDH1A1MAPTFOLH1
SCHEMBL29410986 0.81 BID (0.51) SIRT2KMT2AALDH1A1ADRB2MAPT
SCHEMBL3376462 0.81 SIRT2 (0.50) SIRT2KMT2AALDH1A1ADRB2MAPT
SCHEMBL27924016 0.80 KDM4E (0.44) SIRT2KMT2AALDH1A1MAPTFOLH1
SCHEMBL7479445 0.80 KDM4E (0.44) SIRT2KMT2AALDH1A1MAPTFOLH1
SCHEMBL4735612 0.78 ALDH1A1 (0.54) SIRT2KMT2AALDH1A1ADRB2MAPT

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-7056935-B2 Rotamase enzyme activity inhibitors GPI NIL HOLDINGS, INC. (US) 2006-06-06 US disclosed
US-20020052410-A1 Administering to the animal suffering from neurological disorders an amide compound having an affinity for FKBP-type immunophilins GLIAMED, INC. 2002-05-02 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-20020052410-A1 Administering to the animal suffering from neurological disorders an amide compound having an affinity for FKBP-type immunophilins FKBP14, FKBP1A, FKBP2 SIRT2 2396/4885KMT2A 4124/4885ALDH1A1 3081/4885

“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.