SCHEMBL18969633

SCHEMBL18969633

CC(C)(C)CC(=O)Nc1ncco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 2/20 0.41
ADORA2A P29274 3/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL18964090 0.81 KDM4E (0.46) FFAR2SMN1; SMN2HTTEPHX2ADORA2A
SCHEMBL1428278 0.77 EPHX2 (0.44) FFAR2EPHX2KMT2AL3MBTL1CSNK2A2
SCHEMBL21743428 0.77 KDM4E (0.45) FFAR2EPHX2RAB9AMAPTL3MBTL1
SCHEMBL25332354 0.77 FFAR2 (0.44) FFAR2SMN1; SMN2HTTEPHX2HPGD
SCHEMBL18976556 0.75 EPHX2 (0.42) FFAR2EPHX2CA1CA2CSNK2A2
SCHEMBL3262436 0.74
SCHEMBL7091214 0.74 LMNA (0.50) SMN1; SMN2EPHX2HPGDRAB9AGAA
SCHEMBL19456993 0.74 FFAR2 (0.46) FFAR2EPHX2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3654676 0.73 SMN1; SMN2 (0.41) SMN1; SMN2HTTADORA2AHPGDRAB9A
SCHEMBL20238850 0.73 ATR (0.46) FFAR2SMN1; SMN2EPHX2RAB9ACA1

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-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 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-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP FFAR2 124/4885SMN1; SMN2 3043/4885HTT 2954/4885

“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.