SCHEMBL9965943

SCHEMBL9965943

CCC(C)C(=O)NCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.50
DNPEP Q9ULA0 3/20 0.50
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 2/20 0.44
RNPEP Q9H4A4 3/20 0.43
LAP3 P28838 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CAPN9 O14815 1/20 0.40
CAPN1 P07384 1/20 0.40
CTSB P07858 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL14153993 0.86 TSHR (0.61) USP2TSHRGAA
SCHEMBL18513031 0.84 ANPEP (0.52) ANPEPDNPEPGAARNPEPLAP3
SCHEMBL17598879 0.83 TSHR (0.43) ANPEPDNPEPUSP2TSHRGAA
SCHEMBL1619488 0.83 ANPEP (0.59) ANPEPDNPEPGAARNPEPLAP3
SCHEMBL5021623 0.82 TSHR (0.50) USP2TSHRGAA
SCHEMBL17853878 0.82 USP2 (0.50) USP2TSHRGAAMAPK1
SCHEMBL11913576 0.80 GAA (0.49) USP2TSHRGAA
SCHEMBL18685491 0.80 USP2 (0.54) USP2TSHRGAASMN1; SMN2
SCHEMBL17527573 0.80 ALDH1A2 (0.52) USP2TSHRGAAMAPK1
SCHEMBL14238600 0.80 USP2 (0.54) USP2TSHRGAASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020229982-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-19 WO disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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 (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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ANPEP 2516/4885DNPEP 2424/4885USP2 4207/4885

“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.