SCHEMBL17414353

SCHEMBL17414353

C=CCCC1CCCN1B(C)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 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
SCHEMBL11990433 0.83 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4
SCHEMBL11990408 0.79 POLB (0.33) —
SCHEMBL11990431 0.79 DPP4 (0.33) —
SCHEMBL11990436 0.78 CHRNB2 (0.42) CHRNB2CHRNA7CHRNA4
SCHEMBL17414350 0.74 KMT2A (0.34) —
SCHEMBL17301107 0.74 POLB (0.44) —
SCHEMBL11990435 0.74 PSEN1 (0.36) CHRNB2CHRNA7CHRNA4
SCHEMBL11990412 0.74 CYP1A2 (0.34) —
SCHEMBL11990475 0.74 CYP1A2 (0.34) —
SCHEMBL15107202 0.73 DPP4 (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724682-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 — — US disclosed
US-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-16 — — US disclosed
US-9487472-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-08 — — US disclosed
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD (US) 2016-01-07 — — 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 (2 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-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH CHRNB2 3114/4885CHRNA7 2501/4885CHRNA4 3662/4885
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH CHRNB2 3114/4885CHRNA7 2501/4885CHRNA4 3662/4885

“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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