SCHEMBL3532877

SCHEMBL3532877

Cc1n[nH]c(=O)n1-c1cnn(C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOS2 P35228 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
ENPP2 Q13822 1/20 0.34
MARK3 P27448 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PIM1 P11309 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3520528 0.72 L3MBTL1 (0.66) TDP1CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL8600943 0.69 TDP1 (0.71) TDP1CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL14100096 0.69 TDP1 (0.71) TDP1CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL8306758 0.68 PRMT5 (0.33) KDM5BHCAR2
SCHEMBL23565498 0.68 PRMT5 (0.44) MAPK1PIM1
SCHEMBL23279388 0.68 CYP1A2 (0.69) TDP1CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL23564961 0.68 HTT (0.42) RAB9AMAPK1KDM5B
SCHEMBL15547050 0.68 TDP1 (0.55) TDP1CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL23565505 0.67 CYP2C9 (0.58) TDP1CYP1A2CYP2C9L3MBTL1POLB
SCHEMBL3788987 0.67 TDP1 (0.46) TDP1CYP1A2CYP2C9L3MBTL1POLB

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 10 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-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
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
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 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-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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 (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 TDP1 1278/4885CYP1A2 462/4885CYP2C9 357/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 TDP1 1278/4885CYP1A2 462/4885CYP2C9 357/4885

“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.