SCHEMBL2532151

SCHEMBL2532151

CCCCCN1C(=O)CCc2ccc(C(=O)OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 4/20 0.46
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
CHRM3 P20309 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
HSD17B10 Q99714 3/20 0.41
LMNA P02545 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 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
SCHEMBL12992249 0.81 MEN1 (0.50) DRD3ALDH1A1POLBSMN1; SMN2HSD17B10
SCHEMBL12193378 0.80 ALDH1A1 (0.46) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL12992068 0.77 TRPV1 (0.48) CHRM1DRD2DRD4DRD3CHRM2
SCHEMBL21972613 0.77 HDAC8 (0.44) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL3350901 0.77 XIAP (0.47) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL3352654 0.75 ALDH1A1 (0.47) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL3352037 0.75 KCNH2 (0.51) ALDH1A1POLBKDM4E
SCHEMBL3349263 0.75 REN (0.46) ALDH1A1HPGDSMN1; SMN2HSD17B10LMNA
SCHEMBL27570035 0.75 SMN1; SMN2 (0.48) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10
SCHEMBL21972684 0.74 ALDH1A1 (0.41) ALDH1A1HPGDPOLBSMN1; SMN2HSD17B10

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-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
EP-2141147-A1 ORNITHINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-01-06 EP 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 CHRM1 752/4885DRD2 361/4885DRD4 166/4885

“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.