SCHEMBL4245276

SCHEMBL4245276

C[C@H](CCN)N1CCC(Nc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HSD17B10 Q99714 1/20 0.41
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
OGA O60502 1/20 0.39
ROCK2 O75116 1/20 0.39
POLB P06746 2/20 0.38
NTRK1 P04629 1/20 0.38
FLT3 P36888 1/20 0.38
NTRK3 Q16288 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
SCHEMBL4240613 0.93 UBE2M (0.46) UBE2MDCUN1D1SMN1; SMN2ALDH1A1TSHR
SCHEMBL4245273 0.83 ATM (0.47) NPC1RAB9AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4247943 0.79 POLB (0.56) UBE2MDCUN1D1ROCK2POLBMEN1
SCHEMBL4238740 0.79 UBE2M (0.41) NPC1RAB9AUBE2MDCUN1D1ALDH1A1
SCHEMBL4240447 0.78 POLB (0.35) NPC1RAB9AUBE2MDCUN1D1ALDH1A1
SCHEMBL4236028 0.77 ALDH1A1 (0.47) NPC1RAB9AUBE2MDCUN1D1SMN1; SMN2
SCHEMBL4240045 0.77 ALDH1A1 (0.47) NPC1RAB9AUBE2MDCUN1D1SMN1; SMN2
SCHEMBL4240607 0.76 LMNA (0.49) NPC1RAB9AUBE2MDCUN1D1SMN1; SMN2
SCHEMBL4239228 0.76 UBE2M (0.45) UBE2MDCUN1D1CYP2D6
SCHEMBL4238870 0.75 MAPT (0.56) NPC1RAB9AALDH1A1POLBLMNA

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 5 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
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO 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 NPC1 542/4885RAB9A 2043/4885HSD17B10 2618/4885

“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.