SCHEMBL1313679

SCHEMBL1313679

O=C(CCc1ccccn1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL1314176 0.85 NPC1 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL13621172 0.83 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL9426002 0.81 FKBP1A (0.53) FKBP1AALDH1A1HPGDKDM4EPOLB
SCHEMBL4015175 0.80 ALDH1A1 (0.47) FKBP1ASMN1; SMN2RAB9ANPC1USP2
SCHEMBL2603256 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBMAPK1
SCHEMBL8327592 0.77 FKBP1A (1.00) FKBP1ASMN1; SMN2RAB9ANPC1USP2
SCHEMBL19889199 0.77 MAPT (0.54) FKBP1ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL1313160 0.76 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL21419789 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EPOLBLMNAMAPK1
SCHEMBL23244291 0.75 ME2 (0.73) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US claimed
EP-2313096-A1 NEW COMPOUNDS V AstraZeneca AB (Publ) (SE) 2011-04-27 EP claimed
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO claimed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US disclosed
EP-2313096-A1 NEW COMPOUNDS V AstraZeneca AB (Publ) (SE) 2011-04-27 EP disclosed
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 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-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 FKBP1A 3067/4885SMN1; SMN2 4735/4885RAB9A 4728/4885

“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.