SCHEMBL18949009

SCHEMBL18949009

CCCCCCCC(CCCCCC)C(=O)N1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GNAI3 P08754 4/20 0.42
GNAI1 P63096 4/20 0.42
GNAO1 P09471 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.41
HTR1A P08908 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL18782931 1.00 CA2 (0.44) CA2ALDH1A1GNAI3GNAI1GNAO1
SCHEMBL22628668 1.00 CA2 (0.44) CA2ALDH1A1GNAI3GNAI1GNAO1
SCHEMBL20444070 0.98 CA2 (0.47) CA2ALDH1A1GNAI3GNAI1GNAO1
SCHEMBL23567362 0.93 ALDH1A1 (0.50) CA2ALDH1A1GNAI3GNAI1GNAO1
SCHEMBL26308166 0.90 ALDH1A1 (0.46) CA2ALDH1A1KDM4ENPC1USP2
SCHEMBL23691156 0.86 ALDH1A1 (0.56) CA2ALDH1A1KDM4ENPC1USP2
SCHEMBL23054557 0.86 L3MBTL1 (0.52) CA2ALDH1A1GRIK1GRIK2TDP1
SCHEMBL22790535 0.86 L3MBTL1 (0.47) CA2ALDH1A1GRIK1GRIK2TDP1
SCHEMBL23879488 0.86 L3MBTL1 (0.47) CA2ALDH1A1GRIK1GRIK2TDP1
SCHEMBL20993727 0.86 L3MBTL1 (0.52) CA2ALDH1A1GRIK1GRIK2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10640500-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-05-05 US disclosed
US-10208000-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-02-19 US disclosed
US-9850242-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2017-12-26 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 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-10640500-B2 Tetrahydropyrazolopyrimidine compounds SSB, TLR8, TLR9 CA2 3095/4885ALDH1A1 3879/4885GNAI3 648/4885
US-10208000-B2 Eis inhibitors ABCC1, ATP5ME, ABCG2 CA2 4649/4885ALDH1A1 819/4885GNAI3 2383/4885

“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.