SCHEMBL4088121

SCHEMBL4088121

C[C@@H]1CN(Cc2ccccc2C#N)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.48
TACR1 P25103 2/20 0.47
COMT P21964 1/20 0.44
BRD4 O60885 1/20 0.44
GRM1 Q13255 1/20 0.43
PTGDR2 Q9Y5Y4 5/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MGLL Q99685 2/20 0.42
FAAH O00519 1/20 0.42
CHRM1 P11229 1/20 0.41

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
SCHEMBL20818264 0.82 MGLL (0.52) PTGDR2MGLLFAAH
SCHEMBL14645770 0.79 MGLL (0.56) CHRM4PTGDR2MGLL
SCHEMBL20139939 0.77 GRM1 (0.67) CHRM4GRM1
SCHEMBL27034618 0.77 DPP4 (0.53) CHRM4PTGDR2CHRM1
SCHEMBL19381835 0.75 ACHE (0.51) CHRM4TACR1COMTBRD4CHRM1
SCHEMBL28024574 0.75 COMT (0.53) TACR1COMTCHRM1
SCHEMBL20804350 0.75 COMT (0.53) TACR1COMTCHRM1
SCHEMBL3215246 0.75 PTGDR2 (0.41) CHRM4PTGDR2MGLLFAAH
SCHEMBL28352108 0.74 KCNH2 (0.44) CHRM4PTGDR2MGLLFAAH
SCHEMBL28352107 0.74 KCNH2 (0.44) CHRM4PTGDR2MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives PANACOS PHARMACEUTICALS, INC. (US) 2009-08-27 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 (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-20090215778-A1 Alpha-substituted Arylmethyl Piperazine Pyrazolo [1,5-alpha]Pyrimidine Amide Derivatives THPO, DPYD, TPMT CHRM4 4454/4885TACR1 3799/4885COMT 3714/4885

“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.