SCHEMBL4245273

SCHEMBL4245273

C[C@H](CC(N)=O)N1CCC(Nc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 3/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
SYK P43405 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NTRK1 P04629 1/20 0.42
FLT3 P36888 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4240607 0.93 LMNA (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL4245276 0.83 NPC1 (0.42) ATMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4247940 0.80 POLB (0.52) NPC1RAB9AALDH1A1POLBHTT
SCHEMBL4240584 0.80 CCR5 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL4240444 0.79 MAPT (0.38) SMN1; SMN2NPC1RAB9AALDH1A1POLB
SCHEMBL4236025 0.78 ALDH1A1 (0.53) ALDH1A1KMT2A
SCHEMBL4243366 0.78 ALDH1A1 (0.53) ALDH1A1KMT2A
SCHEMBL4244477 0.77 EPHX2 (0.49)
SCHEMBL4238867 0.76 MAPT (0.62) NPC1RAB9AALDH1A1POLBSYK
SCHEMBL4240613 0.76 UBE2M (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AGAA

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-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 ATM 4030/4885SMN1; SMN2 4838/4885NPC1 542/4885

“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.