SCHEMBL2883181

SCHEMBL2883181

Cc1ccc(C2CCN(C(=O)C3CCc4ncccc4C(=O)C3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
LIPE Q05469 1/20 0.37
HTR2B P41595 1/20 0.37
CALCRL Q16602 1/20 0.37
MGLL Q99685 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PROKR1 Q8TCW9 2/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RPLP1 P05386 1/20 0.36

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
SCHEMBL2883175 0.85 OPRL1 (0.48) TSHRMGLLPROKR1KMT2AHSD11B1
SCHEMBL2882732 0.84 OPRL1 (0.48) HPGDCYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL2885166 0.80 NAMPT (0.45) LIPEMGLLKMT2AHSD11B1NAMPT
SCHEMBL2877546 0.80 NAMPT (0.45) LIPEMGLLKMT2AHSD11B1NAMPT
SCHEMBL6493038 0.74 BACE1 (0.46) HTR2BHSD11B1NAMPT
SCHEMBL6501862 0.74 BACE1 (0.42) SMN1; SMN2TSHRNPC1TP53RAB9A
SCHEMBL6490446 0.73 BACE1 (0.41) SMN1; SMN2TSHRNPC1TP53RAB9A
SCHEMBL6493917 0.72 RAB9A (0.46) HPGDSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL6265806 0.72 ADAM17 (0.43) SMN1; SMN2TSHRNPC1TP53RAB9A
SCHEMBL2880257 0.71 PDK1 (0.46) CYP2C19TP53ALDH1A1KMT2ARXFP1

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 HPGD 1310/4885CYP2C9 4319/4885CYP2C19 3238/4885

“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.