SCHEMBL12437115

SCHEMBL12437115

CN1CCN(C(CC(C)(C)C)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 5/20 0.59
CHRM2 P08172 3/20 0.56
ADRA2A P08913 3/20 0.56
CHRM1 P11229 3/20 0.56
DRD1 P21728 3/20 0.56
DRD3 P35462 3/20 0.56
SLC6A3 Q01959 3/20 0.56
KCNH2 Q12809 3/20 0.56
CYP2D6 P10635 3/20 0.56
OPRM1 P35372 2/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM3 P20309 1/20 0.56
ADRA1D P25100 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
CCR3 P51677 4/20 0.54

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
SCHEMBL11989200 0.86 CYP2C19 (0.57) MC4RKCNH2CYP2D6OPRM1TACR1
SCHEMBL11989193 0.82 CYP3A4 (0.49) CYP2D6TACR1TSHRCYP2C19GAA
SCHEMBL14593276 0.81 MC4R (0.69) MC4RCHRM2ADRA2ACHRM1DRD1
SCHEMBL25375773 0.79 MC4R (0.62) MC4RCHRM2ADRA2ACHRM1DRD1
SCHEMBL2843665 0.79 MC4R (0.62) MC4RCHRM2ADRA2ACHRM1DRD1
SCHEMBL3592854 0.79 MC4R (0.62) MC4RCHRM2ADRA2ACHRM1DRD1
SCHEMBL9366351 0.78 CYP2D6 (0.70) MC4RCHRM2ADRA2ACHRM1DRD1
SCHEMBL12513620 0.78 MC4R (0.65) MC4RCHRM2ADRA2ACHRM1DRD1
SCHEMBL16226720 0.75 SLC6A4 (0.68) MC4RCHRM2ADRA2ACHRM1DRD1
SCHEMBL13015207 0.75 CYP2D6 (0.63) MC4RCHRM2ADRA2ACHRM1DRD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 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 (3 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS MC4R 4125/4885CHRM2 4877/4885ADRA2A 4042/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD MC4R 3320/4885CHRM2 4850/4885ADRA2A 2993/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD MC4R 3320/4885CHRM2 4850/4885ADRA2A 2993/4885

“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.