SCHEMBL7874828

SCHEMBL7874828

CCCCO[C@H](C)C(=O)NN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
DNM1 Q05193 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
SLC15A1 P46059 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
PDE4D Q08499 1/20 0.36
OGG1 O15527 1/20 0.36

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
SCHEMBL5191054 0.92 DNM1 (0.48) CA1CA2ALDH1A1L3MBTL1DNM1
SCHEMBL15281945 0.82 EPHX1 (0.42) ALDH1A1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL7673548 0.81 CA1 (0.43) CA1CA2ALDH1A1ADRB2ADRB1
SCHEMBL17225683 0.81 CA1 (0.50) CA1CA2ALDH1A1L3MBTL1ADRB2
SCHEMBL2120342 0.80 MEN1 (0.46) ALDH1A1ATMMAPT
SCHEMBL16193192 0.79 ALDH1A1 (0.43) CA1CA2ALDH1A1L3MBTL1SLC15A1
SCHEMBL9323640 0.79 ALDH1A1 (0.44) ALDH1A1DNM1CYP1A2CYP3A4CYP2C19
SCHEMBL2122733 0.78 GAA (0.44) GAAMAPTDPP7
SCHEMBL446324 0.78 CA1 (0.47) CA1CA2ALDH1A1L3MBTL1CYP1A2
SCHEMBL12309039 0.78 CA1 (0.47) CA1CA2ALDH1A1L3MBTL1CYP1A2

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO 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 CA1 4857/4885CA2 4611/4885ALDH1A1 3479/4885

“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.