SCHEMBL2680993

SCHEMBL2680993

O=C(OCCc1ccccc1)C1CN(C(=O)O)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
GRIN2B Q13224 1/20 0.42
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
FKBP1A P62942 4/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL3655587 0.87 TSHR (0.47) FKBP1AMEN1KMT2ANPC1RAB9A
SCHEMBL21241284 0.78 HTR2C (0.47) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL22861521 0.78 HTR2C (0.47) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10281640 0.78 TSHR (0.48) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL3306996 0.76 MAPT (0.39) ALDH1A1TSHR
SCHEMBL3096459 0.75 POLB (0.55) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL17153132 0.74 JAK2 (0.47) MEN1KMT2ATSHRMAPK1L3MBTL1
SCHEMBL12324603 0.73 SMN1; SMN2 (0.52) GRIN2BFKBP1AMMP1MMP9MEN1
SCHEMBL14646669 0.73 SMN1; SMN2 (0.52) GRIN2BFKBP1AMMP1MMP9MEN1
SCHEMBL2680992 0.73 SMN1; SMN2 (0.52) GRIN2BFKBP1AMMP1MMP9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHRM5 4868/4885CHRM1 4865/4885CHRM3 4882/4885

“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.