SCHEMBL22449431

SCHEMBL22449431

CCOc1nc(N2CCN(C(=O)OC)CC2)ccc1C(=O)NCC(O)C1Cc2ccccc2CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 17/20 1.00
▸ SMYD3 Q9H7B4 1/20 0.41
▸ IDH1 O75874 2/20 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
SCHEMBL19346827 1.00 PRMT5 (1.00) PRMT5SMYD3IDH1
SCHEMBL22449430 1.00 PRMT5 (1.00) PRMT5SMYD3IDH1
Hydrochloric Acid SCHEMBL22449429 0.99 PRMT5 (0.98) PRMT5SMYD3IDH1
Hydrochloric Acid SCHEMBL19329416 0.99 PRMT5 (0.98) PRMT5SMYD3IDH1
Hydrochloric Acid SCHEMBL19329418 0.99 PRMT5 (0.98) PRMT5SMYD3IDH1
SCHEMBL22449417 0.94 PRMT5 (1.00) PRMT5SMYD3IDH1
SCHEMBL19346800 0.94 PRMT5 (1.00) PRMT5SMYD3IDH1
SCHEMBL22449416 0.94 PRMT5 (1.00) PRMT5SMYD3IDH1
SCHEMBL22730106 0.93 PRMT5 (0.90) PRMT5SMYD3IDH1
SCHEMBL22730104 0.93 PRMT5 (0.90) PRMT5SMYD3IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787434-B2 Benzopiperdine derivatives and their use in the treatment of cancer and hemoglobinopathies CTXT PTY, LTD (AU) 2020-09-29 — — 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-10787434-B2 Benzopiperdine derivatives and their use in the treatment of cancer and hemoglobinopathies HBB, HBG2, HBZ PRMT5 1971/4885SMYD3 646/4885IDH1 425/4885

“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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