SCHEMBL3522930

SCHEMBL3522930

O=c1nc2n(c(=O)n1CCCBr)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ACHE P22303 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
BCHE P06276 1/20 0.35
CFTR P13569 1/20 0.35
ALOX15 P16050 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
GOPC Q9HD26 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL3521993 0.95 MEN1 (0.35) ACHETSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3525152 0.94 MEN1 (0.38) ALDH1A1ACHEHSD17B10HPGDSMN1; SMN2
SCHEMBL3540230 0.90 MEN1 (0.34) ACHEMEN1KMT2A
SCHEMBL9377631 0.88 MEN1 (0.36) ALDH1A1HSD17B10ALOX15HPGDTSHR
SCHEMBL9378770 0.78 P2RX3 (0.38) HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL3537958 0.78 POLB (0.37) ALDH1A1HSD17B10ALOX15HPGDTSHR
SCHEMBL3522816 0.78 GRM5 (0.33) ALDH1A1HSD17B10ALOX15TSHRLMNA
SCHEMBL12013029 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EACHEHSD17B10USP2
SCHEMBL3538928 0.73 POLB (0.42) ALDH1A1TDP1HPGDSMN1; SMN2MEN1
SCHEMBL9377536 0.71 ACHE (0.33) ALDH1A1ACHESMN1; SMN2MEN1KMT2A

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 ALDH1A1 1852/4885KDM4E 2348/4885ACHE 600/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 ALDH1A1 1852/4885KDM4E 2348/4885ACHE 600/4885

“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.