SCHEMBL13801260

SCHEMBL13801260

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2)C(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 4/20 0.48
TACR3 P29371 1/20 0.46
USP30 Q70CQ3 2/20 0.45
SSTR3 P32745 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SPTLC2 O15270 5/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PDE4B Q07343 1/20 0.42
S1PR2 O95136 1/20 0.41

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
SCHEMBL13814702 1.00 DGAT2 (0.48) DGAT2TACR3USP30SSTR3HDAC4
SCHEMBL13801614 0.93 TACR2 (0.45) USP30HDAC4HDAC6SPTLC2PDE4B
SCHEMBL13801636 0.93 TACR2 (0.45) USP30HDAC4HDAC6SPTLC2PDE4B
SCHEMBL13814678 0.93 TACR2 (0.45) USP30HDAC4HDAC6SPTLC2PDE4B
SCHEMBL13814586 0.93 TACR2 (0.45) USP30HDAC4HDAC6SPTLC2PDE4B
SCHEMBL13801256 0.93 TACR2 (0.45) USP30HDAC4HDAC6SPTLC2PDE4B
SCHEMBL13801254 0.92 KMT2A (0.51) USP30HDAC4HDAC6SPTLC2PDE4B
SCHEMBL13814658 0.92 KMT2A (0.51) USP30HDAC4HDAC6SPTLC2PDE4B
SCHEMBL13801251 0.91 TACR2 (0.46) USP30HDAC4HDAC6SPTLC2PDE4B
SCHEMBL13814637 0.91 TACR2 (0.46) USP30HDAC4HDAC6SPTLC2PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT DGAT2 4099/4885TACR3 97/4885USP30 3991/4885

“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.