SCHEMBL7875482

SCHEMBL7875482

NC1CCN(C(=O)CCO)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.59
GNAO1 P09471 3/20 0.59
GNAI1 P63096 3/20 0.59
CACNA1B Q00975 2/20 0.49
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 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
SCHEMBL10239178 0.88 GNAI3 (0.65) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL2439450 0.83 GNAI3 (0.53) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL25024582 0.82 GNAI3 (0.57) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL13180491 0.82 GNAI3 (0.57) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL1562717 0.82 GNAI3 (0.72) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL585029 0.81 GNAI3 (0.57) GNAI3GNAO1GNAI1CACNA1BNPC1
Hydrochloric Acid SCHEMBL1062724 0.81 GNAI3 (0.56) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL25033860 0.80 GNAI3 (0.65) GNAI3GNAO1GNAI1CACNA1BNPC1
SCHEMBL9723662 0.79
SCHEMBL14417848 0.79 NPC1 (0.74) NPC1ALDH1A1KMT2AATMMEN1

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 GNAI3 847/4885GNAO1 1000/4885GNAI1 511/4885

“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.