SCHEMBL1615093

SCHEMBL1615093

CN(C)CCOc1ccc2nc(-c3ccc(OCCc4ccc(Cl)cc4)cc3)n(CCN(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
AGER Q15109 1/20 0.42
PDE6D O43924 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
ESR1 P03372 2/20 0.41
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
POLB P06746 2/20 0.40
AURKB Q96GD4 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
SCHEMBL1283567 0.94 DRD2 (0.48) ACHEDRD2DRD3TP53MAPT
SCHEMBL1283441 0.94 DRD3 (0.52) ACHEDRD2DRD3TP53MAPT
SCHEMBL13347606 0.93 ACHE (0.48) ACHEDRD2DRD3TP53MAPT
SCHEMBL1283237 0.93 AGER (0.48) ACHEDRD2DRD3TP53MAPT
SCHEMBL1283360 0.89 DRD3 (0.54) ACHEDRD2DRD3MAPTAGER
SCHEMBL1283496 0.85 DRD3 (0.59) ACHEDRD2DRD3MAPTAGER
SCHEMBL1282921 0.84 DRD3 (0.55) ACHEDRD2DRD3MAPTAGER
SCHEMBL1283196 0.83 MAPT (0.47) ACHEDRD2DRD3TP53MAPT
SCHEMBL1283284 0.83 DRD3 (0.60) DRD2DRD3MAPTAGER
SCHEMBL1283363 0.81 DRD3 (0.62) DRD2DRD3MAPTAGERRXFP1

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 10 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-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-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

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 1276/4885DRD2 4530/4885DRD3 4032/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ACHE 1301/4885DRD2 4691/4885DRD3 4321/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ACHE 1301/4885DRD2 4691/4885DRD3 4321/4885

“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.