SCHEMBL2885164

SCHEMBL2885164

Cc1ccccc1C1CCN(C(=O)C2CCc3ccncc3C(=O)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.48
KCNH2 Q12809 2/20 0.41
RBP4 P02753 1/20 0.41
HTR7 P34969 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MGLL Q99685 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
AVPR1A P37288 1/20 0.38
TSHR P16473 1/20 0.37
HSD11B1 P28845 2/20 0.37
HPGD P15428 1/20 0.36
NAMPT P43490 1/20 0.36
CCR6 P51684 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
SCHEMBL2877543 0.92 OPRL1 (0.48) OPRL1KCNH2RBP4HTR7MEN1
SCHEMBL6501091 0.89 HTR7 (0.48) OPRL1KCNH2HTR7MEN1KMT2A
SCHEMBL2885166 0.84 NAMPT (0.45) KMT2AMGLLHSD11B1NAMPT
SCHEMBL2883175 0.82 OPRL1 (0.48) OPRL1KCNH2MEN1KMT2AMGLL
SCHEMBL2882729 0.82 OPRL1 (0.68) OPRL1KCNH2MEN1KMT2AMGLL
SCHEMBL6490761 0.81 OPRL1 (0.43) OPRL1KCNH2HTR7MEN1KMT2A
SCHEMBL6079726 0.79 KMT2A (0.40) OPRL1KCNH2MEN1KMT2AMGLL
SCHEMBL6075954 0.78 KMT2A (0.53) HTR7MEN1KMT2A
SCHEMBL6080691 0.78 OPRL1 (0.41) OPRL1KCNH2MEN1KMT2AMGLL
SCHEMBL6076384 0.77 KMT2A (0.42) OPRL1KCNH2MEN1KMT2AMGLL

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 1/4885KCNH2 969/4885RBP4 1111/4885

“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.