SCHEMBL1615380

SCHEMBL1615380

Oc1cc(OCCc2ccc(Cl)cc2)ccc1-c1nc2c(OCCN3CCCC3)cc(OCCN3CCCC3)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
LTA4H P09960 2/20 0.45
HRH4 Q9H3N8 5/20 0.44
ESR1 P03372 5/20 0.43
ESR2 Q92731 4/20 0.43
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
PTGS2 P35354 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MET P08581 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL1283783 0.89 ACHE (0.61) ACHELTA4HHRH4KCNH2MCHR1
SCHEMBL1283887 0.87 ACHE (0.47) ACHELTA4HESR1ESR2KCNH2
SCHEMBL1283220 0.86 HRH3 (0.44) ACHELTA4HHRH4KCNH2MCHR1
SCHEMBL1283799 0.81 ACHE (0.48) ACHELTA4HKCNH2MCHR1PTGS2
SCHEMBL1284247 0.77 ACHE (0.53) ACHELTA4HPTGS2
SCHEMBL1283485 0.74 GCGR (0.44) ACHEHRH4HRH3
SCHEMBL1283800 0.73 HRH4 (0.44) ACHELTA4HHRH4PTGS2
SCHEMBL1283933 0.73 GCGR (0.42) HRH4
SCHEMBL13314340 0.73 ACHE (0.46) ACHE
SCHEMBL1283342 0.72 ACHE (0.42) ACHE

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-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (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-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACHE 1301/4885LTA4H 2586/4885HRH4 1278/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ACHE 1301/4885LTA4H 2586/4885HRH4 1278/4885

“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.