SCHEMBL18790962

SCHEMBL18790962

O=C(CN1CCN(c2cncc(-c3ccc(F)cc3)c2)CC1)NC1CCn2ccnc2C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 12/20 0.45
▸ GRIN2B Q13224 5/20 0.44
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ DEGS1 O15121 1/20 0.41

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
SCHEMBL18790963 0.75 DRD4 (0.57) CYP11B2DRD2DRD4DRD3DEGS1
SCHEMBL20513745 0.71 CYP11B2 (0.56) CYP11B2GRIN2BDEGS1
SCHEMBL20546955 0.71 CYP11B2 (0.56) CYP11B2GRIN2BDEGS1
SCHEMBL18790961 0.70 DRD4 (0.51) CYP11B2DRD2DRD4DRD3
SCHEMBL22236836 0.66 CYP11B2 (0.58) CYP11B2
SCHEMBL20766113 0.65 ACHE (0.48) —
SCHEMBL20766041 0.65 ACHE (0.48) —
SCHEMBL32672096 0.65 ADRA1A (0.39) —
SCHEMBL20513565 0.65 CYP11B2 (0.71) CYP11B2
SCHEMBL20513563 0.65 CYP11B2 (0.71) CYP11B2

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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 — — 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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 CYP11B2 8/4885GRIN2B 3021/4885DRD2 4260/4885

“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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