SCHEMBL23023005

SCHEMBL23023005

Ic1cccc(CNCCC2CCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
CXCR4 P61073 3/20 0.50
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BCHE P06276 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
FOLH1 Q04609 1/20 0.38
CXCL12 P48061 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 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
SCHEMBL23023184 0.82 CHRM2 (0.58) SIGMAR1CXCR4NPC1RAB9ACHRM2
SCHEMBL23023197 0.82 CXCR4 (0.54) SIGMAR1CXCR4BCHENPC1RAB9A
SCHEMBL23004820 0.82 CXCR4 (0.54) SIGMAR1CXCR4CHRM2CHRM1CHRM3
SCHEMBL23023009 0.82 SIGMAR1 (0.54) SIGMAR1CXCR4
SCHEMBL23023007 0.82 CXCR4 (0.54) SIGMAR1CXCR4BCHENPC1RAB9A
SCHEMBL23022989 0.82 SIGMAR1 (0.54) SIGMAR1CXCR4BCHENPC1RAB9A
SCHEMBL23023006 0.82 SIGMAR1 (0.54) SIGMAR1CXCR4NPC1
SCHEMBL23022836 0.82 CXCR4 (0.54) SIGMAR1CXCR4BCHENPC1RAB9A
SCHEMBL23023177 0.81 SIGMAR1 (0.77) SIGMAR1NPC1RAB9ACHRM2KDM1A
SCHEMBL23023029 0.81 SIGMAR1 (0.77) SIGMAR1NPC1RAB9ACHRM2KDM1A

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-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 SIGMAR1 2321/4885CXCR4 4760/4885CNR1 4617/4885

“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.