SCHEMBL24371127

SCHEMBL24371127

CC(C)c1cn2cccc(C(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 15/20 0.42
NPC1 O15118 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
GAA P10253 1/20 0.35
NR1I2 O75469 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL27017623 0.88 HTR4 (0.35) HTR4NPC1ALDH1A1RAB9AKDM4E
SCHEMBL10022339 0.82 NPC1 (0.54) HTR4NPC1ALDH1A1RAB9AKDM4E
SCHEMBL1889616 0.81 PDE10A (0.51) HTR4NPC1ALDH1A1RAB9AKDM4E
SCHEMBL24616474 0.81 NR1I2 (0.35) NPC1ALDH1A1RAB9AKDM4ETP53
SCHEMBL23571851 0.81 HTR4 (0.41) HTR4NPC1ALDH1A1RAB9AKDM4E
SCHEMBL15767859 0.78 HTR4 (0.40) HTR4NPC1ALDH1A1RAB9AKDM4E
SCHEMBL27017631 0.78 HTR4 (0.45) HTR4KDM4EHSD17B10
SCHEMBL21348795 0.78 SMN1; SMN2 (0.40) NPC1ALDH1A1RAB9AKDM4EHSD17B10
SCHEMBL1888808 0.77 HTR4 (0.39) HTR4
SCHEMBL2316889 0.77 HTR4 (0.44) HTR4NPC1ALDH1A1RAB9AKDM4E

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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
WO-2022083703-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LHOTSE BIO, INC. (US) 2022-04-28 WO 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-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 HTR4 1181/4885NPC1 183/4885ALDH1A1 1641/4885

“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.