SCHEMBL417375

SCHEMBL417375

C[C](CN1CCOCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPT P10636 4/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 3/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL6500535 0.83 ALDH1A1 (0.67) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL9779133 0.80 ALDH1A1 (0.54) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL3159167 0.79 ALDH1A1 (0.71) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL4632544 0.77 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL8997897 0.75 ALDH1A1 (0.49) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL8997892 0.75 ALDH1A1 (0.49) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL11704878 0.73 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL11019684 0.73 EGFR (0.69) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL11704872 0.73 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
Benzoic Acid SCHEMBL11711283 0.72 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ALMNASMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 US disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 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 (8 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB ALDH1A1 2954/4885MAPT 4818/4885KMT2A 645/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 ALDH1A1 2152/4885MAPT 2332/4885KMT2A 2229/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 ALDH1A1 2878/4885MAPT 4665/4885KMT2A 2789/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB ALDH1A1 4066/4885MAPT 4584/4885KMT2A 3526/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB ALDH1A1 2954/4885MAPT 4818/4885KMT2A 645/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB ALDH1A1 4168/4885MAPT 4540/4885KMT2A 3303/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 ALDH1A1 2147/4885MAPT 2457/4885KMT2A 2705/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB ALDH1A1 3918/4885MAPT 4592/4885KMT2A 3486/4885

“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.