SCHEMBL1615010

SCHEMBL1615010

CCN(CC)CCCOc1cc(OCCCN(CC)CC)c2[nH]c(-c3ccc(OCCc4ccc(Cl)cc4)cc3OCCCN(CC)CC)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
GCGR P47871 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AGER Q15109 6/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
RHEB Q15382 1/20 0.38
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1283004 0.90 ACHE (0.55) ACHEGCGRKDM4EAGERMAPK13
SCHEMBL1283426 0.88 ACHE (0.55) ACHEGCGRKDM4EAGERMAPK13
SCHEMBL1283485 0.86 GCGR (0.44) ACHEGCGRKDM4EAGERMAPK13
SCHEMBL1283061 0.85 AGER (0.42) ACHEKDM4EAGERRHEBHTT
SCHEMBL13314340 0.85 ACHE (0.46) ACHEGCGRKDM4EAGERMAPK13
SCHEMBL1283342 0.82 ACHE (0.42) ACHEGCGRKDM4EAGERMAPK13
SCHEMBL1283799 0.80 ACHE (0.48) ACHEHRH3
SCHEMBL1283451 0.80 GCGR (0.46) ACHEGCGRKDM4EAGERMAPK13
SCHEMBL1283810 0.80 ACHE (0.49) ACHEGCGRKDM4EAGERRHEB
SCHEMBL14417442 0.79 ACHE (0.46) ACHEGCGRKDM4EMAPK13MAPK12

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
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 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 (3 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACHE 1276/4885GCGR 18/4885KDM4E 4107/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ACHE 1301/4885GCGR 18/4885KDM4E 4138/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACHE 1301/4885GCGR 18/4885KDM4E 4138/4885

“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.