SCHEMBL6487168

SCHEMBL6487168

O=C(OCc1ccccc1)C1CN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.55
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.48
FABP7 O15540 1/20 0.48
FABP5 Q01469 1/20 0.48
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR5 Q9H228 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL28879461 0.87 FKBP1A (0.48) FKBP1AL3MBTL1S1PR5
SCHEMBL5520151 0.87 FKBP1A (0.48) FKBP1AL3MBTL1S1PR5
SCHEMBL16589450 0.87 ALDH1A1 (0.49) FKBP1AALDH1A1TDP1FABP7FABP5
SCHEMBL2770293 0.86 FKBP1A (0.55) FKBP1AALDH1A1KMT2ANPC1RAB9A
SCHEMBL11147455 0.86 MEN1 (0.55) ALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL16589447 0.86 MAOA (0.49) FKBP1AALDH1A1TDP1FABP7FABP5
SCHEMBL20077566 0.84 FKBP1A (0.45) FKBP1AALDH1A1FABP7FABP5HPGD
SCHEMBL2274909 0.84 POLB (0.61) FKBP1AALDH1A1KMT2ASMN1; SMN2
SCHEMBL2274911 0.84 POLB (0.61) FKBP1AALDH1A1KMT2ASMN1; SMN2
SCHEMBL16589449 0.83 FKBP1A (0.49) FKBP1AALDH1A1TDP1FABP7FABP5

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-6855708-B2 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-02-15 US disclosed
US-20030008861-A1 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2003-01-09 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-20030008861-A1 N-arylsulfonyl aza-bicyclic derivatives as potent cell adhesion inhibitors VCAM1, CD4, ITGA4 FKBP1A 2979/4885ALDH1A1 225/4885TDP1 4485/4885

“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.