SCHEMBL5573889

SCHEMBL5573889

N[C@@H](CNC1CCCCC1)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
EPHX2 P34913 2/20 0.44
ADRB3 P13945 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX12 P18054 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
EPHX1 P07099 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
SCHEMBL5575277 0.99 GLA (0.43) KDM4EEPHX2ADRB3NPC1RAB9A
SCHEMBL5575368 0.86 OPRM1 (0.39) ADRB3MAPK1OPRM1OPRD1OPRK1
SCHEMBL5575374 0.82 KDM4E (0.59) KDM4ELMNAMEN1KMT2ACYP1A2
SCHEMBL9350980 0.82 KDM4E (0.59) KDM4ELMNAMEN1KMT2ACYP1A2
SCHEMBL11341778 0.77 OPRL1 (0.55) NPC1RAB9AOPRM1OPRD1OPRK1
SCHEMBL13712069 0.77 SLC6A2 (0.59) KDM4EEPHX2NPC1RAB9ASLC6A2
Hydrochloric Acid SCHEMBL3954682 0.76 SLC6A2 (0.58) KDM4EEPHX2BCHESLC6A2SLC6A4
SCHEMBL21539590 0.75 POLB (0.45) EPHX2LMNAMEN1KMT2AOPRM1
SCHEMBL18298572 0.75 POLB (0.45) EPHX2LMNAMEN1KMT2AOPRM1
SCHEMBL30747365 0.75 OPRL1 (0.56) OPRM1OPRD1OPRK1OPRL1SLC6A2

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-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 KDM4E 3689/4885EPHX2 2054/4885ADRB3 489/4885

“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.