SCHEMBL14368998

SCHEMBL14368998

CCOCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-n3ccnc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.43
▸ CCR3 P51677 14/20 0.43
▸ DRD3 P35462 2/20 0.40
▸ DRD2 P14416 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL4426694 1.00 HTT (0.43) HTTCCR3DRD3DRD2HTR2A
SCHEMBL14369049 0.89 CCR3 (0.44) HTTCCR3DRD2HTR2AHTR2C
SCHEMBL5664036 0.89 CCR3 (0.44) CCR3DRD2HTR2ACYP2D6SLC6A2
SCHEMBL4428998 0.89 CCR3 (0.44) CCR3DRD2HTR2ACYP2D6SLC6A2
SCHEMBL4428996 0.89 CCR3 (0.44) CCR3DRD2HTR2ACYP2D6SLC6A2
SCHEMBL14368995 0.89 CCR3 (0.40) CCR3CYP2D6
SCHEMBL14368994 0.88 CCR3 (0.43) HTTCCR3DRD3DRD2HTR2A
SCHEMBL4426204 0.88 CCR3 (0.43) HTTCCR3DRD3DRD2HTR2A
SCHEMBL4566657 0.87 CCR3 (0.44) HTTCCR3DRD2HTR2AHTR2C
SCHEMBL14369059 0.87 CCR3 (0.44) HTTCCR3DRD2HTR2AHTR2C

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-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 HTT 2970/4885CCR3 247/4885DRD3 527/4885

“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.

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