SCHEMBL13014707

SCHEMBL13014707

CC(C)NC(=O)C1CCCN1C(=O)OC1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.36
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CTRB1 P17538 1/20 0.35
F2 P00734 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
ACACB O00763 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
SCHEMBL5991151 0.87 MAPK1 (0.35) RAB9AHTTSMN1; SMN2ALDH1A1POLB
SCHEMBL5952260 0.80 RAB9A (0.37) RAB9AACACB
SCHEMBL26319748 0.78 RAB9A (0.48) RAB9ATSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL5990752 0.77 GPR119 (0.36) SMN1; SMN2GAAKMT2A
SCHEMBL26319747 0.74 RAB9A (0.55) RAB9ATSHRHTTALDH1A1GAA
SCHEMBL13014741 0.74 KCNH2 (0.41) ELANE
SCHEMBL13062409 0.74 ALDH1A1 (0.38) RAB9ASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL13014771 0.74 GPR119 (0.35)
SCHEMBL30934674 0.73 CTSL (0.41) TSHRSMN1; SMN2PKMMAPK1ACACB
SCHEMBL34474113 0.73 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KMT2APOLBKDM4E

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
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS RAB9A 1535/4885TSHR 4834/4885HTT 1821/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS RAB9A 1535/4885TSHR 4834/4885HTT 1821/4885

“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.