SCHEMBL2882732

SCHEMBL2882732

Cc1ccc(C2CCN(C(=O)C3CCc4cccnc4C(=O)C3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.48
PTAFR P25105 2/20 0.42
LIPE Q05469 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
NAMPT P43490 6/20 0.39
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2882729 0.85 OPRL1 (0.68) OPRL1FNTAFNTBHSD11B1TSHR
SCHEMBL2883181 0.84 HPGD (0.39) LIPENAMPTHSD11B1SMN1; SMN2NPC1
SCHEMBL2885166 0.80 NAMPT (0.45) LIPENAMPTHSD11B1MGLL
SCHEMBL6493038 0.74 BACE1 (0.46) NAMPTHSD11B1MAPK1
Hydrochloric Acid SCHEMBL2883763 0.72 OPRL1 (0.45) OPRL1PTAFRCYP2C19
SCHEMBL6493917 0.72 RAB9A (0.46) NAMPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6492368 0.71 GRIN2B (0.56) NAMPTHSD11B1
SCHEMBL2880939 0.71 OPRL1 (0.50) OPRL1SMN1; SMN2NPC1TP53TSHR
SCHEMBL22542096 0.71 ALDH1A1 (0.57) LIPESMN1; SMN2NPC1TP53TSHR
SCHEMBL6498974 0.69 KMT2A (0.47) HSD11B1SMN1; SMN2NPC1RAB9AHPGD

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-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 OPRL1 1/4885PTAFR 1143/4885LIPE 280/4885

“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.