SCHEMBL19859898

SCHEMBL19859898

CN1CCCC1Cn1cnc(C(C)(C)C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ HTR6 P50406 2/20 0.34

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
SCHEMBL19859897 1.00 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL19859618 0.85 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL19859674 0.81 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL19859676 0.81 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL19859632 0.75 HTR6 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL19859635 0.75 HTR6 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL19867700 0.68 HTR6 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL19859848 0.68 HTR6 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL21085843 0.68 HTR6 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4HTR6
SCHEMBL19859847 0.68 HTR6 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4HTR6

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
EP-3497098-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2019-06-19 — — EP disclosed
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 — — US disclosed
WO-2018031877-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2018-02-15 — — 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-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 CHRNB2 3969/4885CHRNB4 4736/4885CHRNA3 4617/4885

“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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