SCHEMBL17679889

SCHEMBL17679889

C=C(CC1CCN(C(C)C)CC1)N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 18/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ CYP2D6 P10635 1/20 0.33
▸ NCF1 P14598 1/20 0.32

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
SCHEMBL12026454 0.81 NAMPT (0.43) HRH3KCNH2CYP2D6
SCHEMBL13808561 0.71 HTT (0.59) HRH3KCNH2CYP2D6
SCHEMBL25581236 0.71 HRH3 (0.36) HRH3KCNH2
SCHEMBL25443839 0.71 HRH3 (0.48) HRH3KCNH2CYP2D6
SCHEMBL24671761 0.71 NCF1 (0.46) HRH3KCNH2NCF1
SCHEMBL18433703 0.71 CHRM1 (0.38) HRH3KCNH2CYP2D6
SCHEMBL13300929 0.70 HRH3 (0.46) HRH3KCNH2NCF1
SCHEMBL19239928 0.69 KDM5A (0.32) —
SCHEMBL1261174 0.68 HRH3 (0.44) HRH3KCNH2CYP2D6
SCHEMBL25630382 0.68 NCF1 (0.43) HRH3NCF1

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-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 — — US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 — — 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-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A HRH3 3292/4885KCNH2 3476/4885CYP2D6 934/4885

“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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