SCHEMBL3954355

SCHEMBL3954355

O=C(N1CCCC1)N1CCOCC1

nearest known ligand 0.91

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.86
TP53 P04637 1/20 0.86
KMT2A Q03164 1/20 0.86
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
AKR1C3 P42330 4/20 0.55
RECQL P46063 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.52
CA2 P00918 1/20 0.50
CHKA P35790 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL4305149 0.97 MEN1 (0.82) MEN1TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL2202342 0.97 MEN1 (0.82) MEN1TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL30677423 0.95 MEN1 (0.95) MEN1TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL27794130 0.92 MEN1 (0.82) MEN1TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL2899860 0.92 MEN1 (0.80) MEN1TP53KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL28000052 0.89 MEN1 (0.76) MEN1TP53KMT2ASMN1; SMN2MAPT
SCHEMBL11741744 0.89 MEN1 (0.85) MEN1TP53KMT2ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL27660773 0.89 MEN1 (0.76) MEN1TP53KMT2ASMN1; SMN2MAPT
SCHEMBL2678907 0.84 KMT2A (0.83) MEN1TP53KMT2AALDH1A1SMN1; SMN2
SCHEMBL6040035 0.84 MEN1 (0.62) MEN1TP53KMT2ASMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US claimed
US-8524898-B2 Proton acceptor iminium/carbocation-type coupling agents LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2013-09-03 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
WO-2009138985-A2 COUPLING AGENTS FOR THE SYNTHESIS OF POLYPEPTIDES AND POLYNUCLEOTIDES LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2009-11-19 WO disclosed
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 WO disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 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 (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-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS PHAX, GIPR, IAPP MEN1 882/4885TP53 4069/4885KMT2A 4729/4885

“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.