SCHEMBL10055063

SCHEMBL10055063

c1ccc(NC[C@H]2CC[C@@H](CNc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.57
PRMT6 Q96LA8 1/20 0.57
CRHR1 P34998 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNH3 Q9ULD8 1/20 0.47
GBA1 P04062 1/20 0.47
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
EPHX1 P07099 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TLR7 Q9NYK1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
GRIN2B Q13224 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL10055002 1.00 CARM1 (0.57) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL1722281 1.00 CARM1 (0.57) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL18434523 1.00 CARM1 (0.57) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL872221 0.91 CARM1 (0.54) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL9679337 0.91 EPHX1 (0.54) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL1846502 0.90 CARM1 (0.50) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL13493826 0.90 CARM1 (0.54) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL543334 0.90 CARM1 (0.50) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL23845320 0.89 EPHX1 (0.57) CARM1PRMT6CRHR1NPC1RAB9A
SCHEMBL901572 0.89 EPHX1 (0.57) CARM1PRMT6CRHR1NPC1RAB9A

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-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 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-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 CARM1 3655/4885PRMT6 3253/4885CRHR1 246/4885

“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.