SCHEMBL6385324

SCHEMBL6385324

NC1c2cnccc2CCc2c(F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KDM4C Q9H3R0 3/20 0.38
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ FDPS P14324 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ KDM1B Q8NB78 1/20 0.33

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
SCHEMBL6388506 0.86 ADRA2A (0.44) CYP19A1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL14309671 0.83 CHRNB2 (0.38) CYP19A1CYP11B1CYP11B2DRD2DRD3
SCHEMBL6389933 0.80 HTR2A (0.52) CYP19A1CYP11B2CHRNB2CHRNA4CHRNA7
SCHEMBL6387593 0.77 KDM4C (0.34) CYP19A1CYP11B1CYP11B2KDM4CCHRNB2
SCHEMBL4238327 0.74 TYMS (0.37) CYP19A1CYP11B1CYP11B2DRD2DRD3
SCHEMBL6385691 0.70 HTR2A (0.52) CYP19A1CYP11B2
SCHEMBL6388288 0.70 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2
SCHEMBL6391836 0.69 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2KDM4C
SCHEMBL6391832 0.69 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2KDM4C
SCHEMBL14415681 0.66 HTR2A (0.60) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 — — US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 — — EP disclosed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 — — WO 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 CYP19A1 763/4885CYP11B1 500/4885CYP11B2 333/4885

“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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