SCHEMBL3522852

SCHEMBL3522852

CCOC(=O)N/N=C(/C)OCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 4/20 0.43
GAA P10253 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MIF P14174 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SOAT1 P35610 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3517357 1.00 RAB9A (0.47) RAB9AMAPTALDH1A1CYP1A2GAA
SCHEMBL3522854 1.00 RAB9A (0.47) RAB9AMAPTALDH1A1CYP1A2GAA
SCHEMBL16659202 0.89 MAPT (0.46) RAB9AMAPTALDH1A1CYP1A2GAA
SCHEMBL9457113 0.89 MAPT (0.46) RAB9AMAPTALDH1A1CYP1A2GAA
SCHEMBL9457104 0.89 MAPT (0.46) RAB9AMAPTALDH1A1CYP1A2GAA
SCHEMBL2342857 0.84 MAPT (0.48) RAB9AMAPTALDH1A1GAALMNA
SCHEMBL4659997 0.84 RAB9A (0.49) RAB9AMAPTALDH1A1CYP1A2GAA
SCHEMBL28971773 0.84 MAPT (0.48) RAB9AMAPTALDH1A1GAALMNA
SCHEMBL2342853 0.84 MAPT (0.48) RAB9AMAPTALDH1A1GAALMNA
SCHEMBL10343768 0.81 RAB9A (0.46) RAB9AMAPTALDH1A1CYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO 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 (2 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 RAB9A 1326/4885MAPT 2254/4885ALDH1A1 1852/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 RAB9A 1326/4885MAPT 2254/4885ALDH1A1 1852/4885

“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.