SCHEMBL3522816

SCHEMBL3522816

O=c1nc2n(c(=O)n1CCCBr)CCOC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3522930 0.78 ALDH1A1 (0.35) LMNATSHRALDH1A1ALOX15HSD17B10
SCHEMBL3525152 0.75 MEN1 (0.38) NPC1RAB9APOLBALDH1A1HSD17B10
SCHEMBL12013030 0.75 POLB (0.37) GRM5LMNATP53NPC1RAB9A
SCHEMBL3540230 0.71 MEN1 (0.34)
SCHEMBL3538928 0.70 POLB (0.42) LMNAPOLBALDH1A1MAPT
SCHEMBL12012169 0.69 POLB (0.35) GRM5LMNATP53NPC1RAB9A
SCHEMBL9377631 0.69 MEN1 (0.36) LMNANPC1RAB9ATSHRPOLB
SCHEMBL13063763 0.68 ALDH1A1 (0.35) POLBALDH1A1
SCHEMBL16908831 0.65 POLB (0.38) POLB
SCHEMBL3521483 0.64 TNF (0.35) HSD17B10

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-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
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 GRM5 241/4885LMNA 646/4885TP53 4878/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 GRM5 241/4885LMNA 646/4885TP53 4878/4885

“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.