SCHEMBL2880360

SCHEMBL2880360

CC(C)(O)c1ccccc1C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.60
POLB P06746 2/20 0.57
CCR3 P51677 1/20 0.53
SIGMAR1 Q99720 7/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
CHRM4 P08173 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD2 P14416 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL25357912 0.86 OPRL1 (0.52) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL745670 0.85 OPRL1 (0.51) OPRL1POLBCCR3CYP2D6CHRM4
SCHEMBL3219368 0.85 OPRL1 (0.61) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL30136844 0.81 OPRL1 (0.52) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL16836052 0.81 OPRL1 (0.52) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL6911078 0.81 OPRL1 (0.71) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL2883677 0.80 OPRL1 (0.66) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL4977647 0.80 OPRD1 (0.39) OPRL1SIGMAR1MAPK1
Hydrochloric Acid SCHEMBL11256637 0.79 POLB (0.66) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL10916463 0.77 OPRL1 (0.70) OPRL1POLBCCR3SIGMAR1CYP3A4

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
CN-1930145-B Cycloalkanopyridine derivative MSD CO LTD 2011-06-15 CN disclosed
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
CN-1930145-A Cycloalkanopyridine derivative BANYU PHARMA CO LTD (JP) 2007-03-14 CN 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 1/4885POLB 3327/4885CCR3 2157/4885

“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.