SCHEMBL17414350

SCHEMBL17414350

CCC1CCCN1B(C)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.34
▸ DPP4 P27487 7/20 0.33
▸ DPP8 Q6V1X1 5/20 0.33
▸ DPP9 Q86TI2 5/20 0.33
▸ DPP7 Q9UHL4 5/20 0.33
▸ FAP Q12884 4/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11990431 0.84 DPP4 (0.33) DPP4DPP8DPP9DPP7FAP
SCHEMBL17301107 0.83 POLB (0.44) KMT2ADPP4DPP8DPP9DPP7
SCHEMBL15107202 0.82 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL13909534 0.82 DPP4 (0.32) DPP4DPP8DPP9DPP7L3MBTL1
SCHEMBL11990408 0.80 POLB (0.33) DPP4DPP8DPP9DPP7L3MBTL1
SCHEMBL11990435 0.79 PSEN1 (0.36) KMT2A
SCHEMBL11990393 0.77 DPP4 (0.33) DPP4DPP8DPP9DPP7FAP
SCHEMBL11990433 0.77 CHRNB2 (0.36) DPP4DPP8DPP9DPP7
SCHEMBL25970252 0.77 L3MBTL1 (0.35) DPP4DPP8DPP9DPP7FAP
SCHEMBL20806180 0.76 — —

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 KMT2A 643/4885DPP4 3999/4885DPP8 2539/4885
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH KMT2A 643/4885DPP4 3999/4885DPP8 2539/4885

“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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