SCHEMBL30278383

SCHEMBL30278383

c1ccc(OCC2CCOCC2)c(CNCCC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
HTR5A P47898 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
BRD4 O60885 1/20 0.39
BCHE P06276 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ACHE P22303 1/20 0.39
DHFR P00374 1/20 0.39
DCPS Q96C86 1/20 0.39
P2RX4 Q99571 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL23005057 1.00 RIPK1 (0.44) RIPK1CYP2D6CHRM2CHRM1CHRM3
SCHEMBL23004993 0.93 HTR5A (0.45) RIPK1CYP2D6CHRM2CHRM1CHRM3
SCHEMBL30278342 0.93 HTR5A (0.45) RIPK1CYP2D6CHRM2CHRM1CHRM3
SCHEMBL30278380 0.84 KMT2A (0.44) CYP2D6CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL23022899 0.84 NPC1 (0.42) CYP2D6CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL23005034 0.84 KMT2A (0.44) CYP2D6CHRM2CHRM1CHRM3SIGMAR1
Hydrochloric Acid SCHEMBL30278350 0.83 KMT2A (0.41) CYP2D6CHRM2CHRM1CHRM3SIGMAR1
Hydrochloric Acid SCHEMBL23004825 0.83 KMT2A (0.41) CYP2D6CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL23023124 0.78 CHRM2 (0.59) CYP2D6CHRM2CHRM1CHRM3BCHE
SCHEMBL23022888 0.78 RIPK1 (0.41) RIPK1BRD4DHFRDCPSP2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102879-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-03-30 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-20230102879-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 RIPK1 3000/4885CYP2D6 3013/4885CHRM2 4851/4885

“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.