SCHEMBL1286491

SCHEMBL1286491

CCCCn1c(-c2ccc(OCCc3ccc(Cl)cc3)cc2OCCN2CCCC2)nc2ccc(OCCN3CCCC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
AGER Q15109 3/20 0.44
LTA4H P09960 3/20 0.43
KCNH2 Q12809 2/20 0.41
MCHR1 Q99705 2/20 0.41
PDE2A O00408 2/20 0.40
PTGS2 P35354 1/20 0.40
ACHE P22303 2/20 0.40
NPY1R P25929 1/20 0.39

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
SCHEMBL1283509 0.94 HRH3 (0.42) ESR1AGERLTA4HKCNH2MCHR1
SCHEMBL1283710 0.94 HRH3 (0.42) ESR1AGERLTA4HKCNH2MCHR1
SCHEMBL1283176 0.92 AGER (0.44) ESR1AGERLTA4HKCNH2MCHR1
SCHEMBL1283500 0.92 AGER (0.44) ESR1AGERLTA4HKCNH2MCHR1
SCHEMBL1283277 0.89 ESR1 (0.43) ESR1AGERLTA4HMCHR1
SCHEMBL1283281 0.89 ESR1 (0.54) ESR1AGERLTA4HKCNH2PTGS2
SCHEMBL1283809 0.89 ESR1 (0.54) ESR1AGERLTA4HKCNH2PTGS2
SCHEMBL3110091 0.88 AGER (0.41) ESR1AGERLTA4HKCNH2MCHR1
SCHEMBL1286474 0.87 AGER (0.40) ESR1AGERLTA4HKCNH2MCHR1
SCHEMBL1283389 0.86 HRH3 (0.42) ESR1AGERLTA4HKCNH2MCHR1

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 21 patents — showing the first 20. 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-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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 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-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 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-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-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 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
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 (4 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 ESR1 144/4885AGER 1/4885LTA4H 2960/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ESR1 133/4885AGER 1/4885LTA4H 2586/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ESR1 133/4885AGER 1/4885LTA4H 2586/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ESR1 133/4885AGER 1/4885LTA4H 2586/4885

“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.