SCHEMBL4715487

SCHEMBL4715487

O=C(NCCCN1CCOCC1)Nc1c[c]ccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 2/20 0.54
CNR1 P21554 1/20 0.54
PRMT3 O60678 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
PDGFRB P09619 1/20 0.51
FLT1 P17948 1/20 0.51
KDR P35968 1/20 0.51
EPHX2 P34913 2/20 0.50
GAA P10253 2/20 0.50
PKM P14618 2/20 0.50
POLB P06746 1/20 0.50
BDKRB1 P46663 1/20 0.49
CCR3 P51677 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL6292099 0.84 NPC1 (0.49) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL29014624 0.81 ALDH1A1 (0.70) SMN1; SMN2LMNAALDH1A1KDM4EGAA
SCHEMBL965567 0.81 LMNA (0.71) SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL964270 0.79 ALDH1A1 (0.48) SMN1; SMN2MAPTLMNAALDH1A1EPHX2
SCHEMBL1419239 0.79 KMT2A (0.52) SMN1; SMN2MAPTLMNACNR1KDM4E
SCHEMBL30417063 0.78 SMN1; SMN2 (0.85) SMN1; SMN2MAPTLMNACNR1PRMT3
SCHEMBL3761624 0.78 SMN1; SMN2 (0.72) SMN1; SMN2MAPTLMNACNR1EPHX2
SCHEMBL25454925 0.77 EPHX2 (0.77) SMN1; SMN2MAPTLMNACNR1ALDH1A1
SCHEMBL15064642 0.76 EPHX1 (0.60) SMN1; SMN2MAPTLMNAALDH1A1EPHX2
SCHEMBL14500260 0.76 PKM (0.76) SMN1; SMN2MAPTLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed
WO-2002070519-A1 MONOBACTAMS AS CATHEPSIN K INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-09-12 WO disclosed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 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 (1 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-20020052378-A1 Novel compounds and compositions as protease inhibitors SERPINB1, CTRL, SPINT2 SMN1; SMN2 3534/4885MAPT 3459/4885LMNA 2284/4885

“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.