SCHEMBL3783636

SCHEMBL3783636

O=c1nc2n(c(=O)[nH]1)CCOC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM5 P41594 1/20 0.34
TP53 P04637 6/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL3532688 0.74 GAA (0.33) POLBALDH1A1GRM5MAPTLMNA
SCHEMBL31714747 0.69 TYMP (0.38) POLBALDH1A1GRM5TP53NPC1
Water SCHEMBL9384108 0.68 POLB (0.44) POLBALDH1A1NPC1RAB9AMAPK1
SCHEMBL12012169 0.67 POLB (0.35) POLBALDH1A1GRM5TP53NPC1
SCHEMBL12013030 0.67 POLB (0.37) POLBALDH1A1GRM5TP53NPC1
SCHEMBL25342564 0.64 MEN1 (0.37) POLBALDH1A1MEN1KMT2ATSHR
SCHEMBL20112527 0.64
SCHEMBL29991121 0.64 POLB (0.38) POLBALDH1A1GRM5TP53NPC1
SCHEMBL13063763 0.64 ALDH1A1 (0.35) POLBALDH1A1
SCHEMBL23327679 0.64 LMNA (0.35) POLBALDH1A1GRM5TP53NPC1

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
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
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 POLB 3367/4885ALDH1A1 1852/4885GRM5 241/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 POLB 3367/4885ALDH1A1 1852/4885GRM5 241/4885

“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.