SCHEMBL16004565

SCHEMBL16004565

C=CC1CCCCCN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PREP P48147 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
HSD11B1 P28845 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL31148566 1.00 HPGD (0.46) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL31148623 0.98 HSD17B10 (0.44) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL17770867 0.98 HSD17B10 (0.44) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL2689039 0.98 HSD17B10 (0.44) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL3563098 0.94 HSD17B10 (0.48) HPGDEPHX1HSD17B10SMN1; SMN2NPC1
SCHEMBL3595877 0.94 HSD17B10 (0.48) HPGDEPHX1HSD17B10SMN1; SMN2NPC1
SCHEMBL5848791 0.94 HSD17B10 (0.48) HPGDEPHX1HSD17B10SMN1; SMN2NPC1
SCHEMBL24757382 0.87 HSD17B10 (0.40) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL22251831 0.87 HSD17B10 (0.40) HPGDEPHX1HSD17B10PREPSMN1; SMN2
SCHEMBL14398395 0.86 HPGD (0.47) HPGDEPHX1HSD17B10PREPSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383922-A1 KRAS Modulating Compounds GILEAD SCIENCES, INC. 2024-11-21 US disclosed
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
WO-2014134141-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-04 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 (3 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-20240383922-A1 KRAS Modulating Compounds KRAS, NRAS, HRAS HPGD 2436/4885EPHX1 3345/4885HSD17B10 4557/4885
US-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH HPGD 1357/4885EPHX1 2674/4885HSD17B10 3335/4885
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH HPGD 1357/4885EPHX1 2674/4885HSD17B10 3335/4885

“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.