SCHEMBL3553157

SCHEMBL3553157

CCCCn1c(CCc2ccc(CCc3ccc(F)cc3)cc2)nc2ccc(OCCCN(CC)CC)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD3 P35462 5/20 0.45
MCHR1 Q99705 2/20 0.42
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
TP53 P04637 1/20 0.41
CNR2 P34972 3/20 0.41
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
AGER Q15109 1/20 0.40
ACHE P22303 2/20 0.40
PDE2A O00408 1/20 0.40
CNR1 P21554 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
SCHEMBL1283644 0.98 DRD2 (0.46) DRD2DRD3MCHR1AGTR1AGTR2
SCHEMBL10282580 0.96 MCHR1 (0.47) DRD2DRD3MCHR1AGTR1AGTR2
SCHEMBL1283129 0.91 MCHR1 (0.46) DRD2DRD3MCHR1AGTR1AGTR2
SCHEMBL1282449 0.91 DRD3 (0.50) DRD2DRD3TP53BRD4CREBBP
SCHEMBL1614049 0.91 DRD3 (0.46) DRD2DRD3MCHR1TP53CNR2
SCHEMBL1615081 0.90 TP53 (0.47) MCHR1AGTR1AGTR2TP53CNR2
SCHEMBL1283017 0.90 SMN1; SMN2 (0.47) DRD2DRD3TP53CNR2BRD4
SCHEMBL1283407 0.89 DRD3 (0.46) DRD2DRD3MCHR1TP53CNR2
SCHEMBL1284146 0.88 DRD2 (0.45) DRD2DRD3MCHR1TP53CNR2
SCHEMBL1615303 0.87 MCHR1 (0.52) MCHR1AGTR1AGTR2TP53BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B DRD2 4691/4885DRD3 4321/4885MCHR1 1567/4885

“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.