SCHEMBL4898648

SCHEMBL4898648

CC(C)(C)OC(=O)N1CC2CC=CCC1CN2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
PREP P48147 1/20 0.37
AR P10275 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1H2 P55055 1/20 0.36
PARP1 P09874 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
CCR2 P41597 1/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4898628 0.93 CHRM2 (0.46) HSD11B1CHRM2CHRM1CHRM3F13A1
SCHEMBL4891480 0.93 CHRM2 (0.46) HSD11B1CHRM2CHRM1CHRM3F13A1
SCHEMBL4898643 0.93 CHRM2 (0.46) HSD11B1CHRM2CHRM1CHRM3F13A1
SCHEMBL4891486 0.93 CHRM2 (0.46) HSD11B1CHRM2CHRM1CHRM3F13A1
SCHEMBL4891828 0.82 HSD11B1 (0.43) HSD11B1CHRM2CHRM1CHRM3F13A1
SCHEMBL20587817 0.76 CHRM2 (0.44) HSD11B1CHRM2CHRM1CHRM3PREP
SCHEMBL30554036 0.76 CHRM2 (0.64) HSD11B1CHRM2CHRM1CHRM3PREP
SCHEMBL24267673 0.75 HSD11B1 (0.41) HSD11B1CHRM2CHRM1CHRM3F13A1
SCHEMBL4891817 0.74 CHRM2 (0.47) HSD11B1CHRM2CHRM1CHRM3PREP
SCHEMBL14258930 0.74 CHRM2 (0.47) HSD11B1CHRM2CHRM1CHRM3PREP

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-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 US disclosed
US-8530475-B2 Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring JANSSEN PHARMACEUTICA NV 2013-09-10 US disclosed
US-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS CREIGHTON CHRISTOPHER J 2008-03-20 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 (2 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-20080070919-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 HSD11B1 857/4885CHRM2 1886/4885CHRM1 1314/4885
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 HSD11B1 857/4885CHRM2 1886/4885CHRM1 1314/4885

“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.