SCHEMBL3469925

SCHEMBL3469925

COc1ccc(N(C(N)=O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.51
ALOX5 P09917 2/20 0.50
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
PARP10 Q53GL7 2/20 0.48
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR2 Q92731 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL6511331 0.84 TRPM8 (0.52) TRPM8CA1CA2PARP10PARP1
SCHEMBL21026944 0.82 ALDH1A1 (0.54) TRPM8CA1CA2PARP10PARP1
SCHEMBL4868746 0.81 TRPM8 (0.48) TRPM8ALOX5CA1CA2PARP10
Acetamide SCHEMBL8616949 0.80 TRPM8 (0.44) TRPM8ALOX5CA1CA2PARP10
SCHEMBL10537588 0.79 TRPM8 (0.49) TRPM8USP2ALDH1A1NPC1TP53
SCHEMBL25316112 0.78 ALDH1A1 (0.66) TRPM8USP2ALDH1A1NPC1TP53
SCHEMBL4869949 0.78 GSK3B (0.49) TRPM8USP2ALDH1A1NPC1TP53
SCHEMBL8616955 0.78 TRPM8 (0.42) TRPM8ALOX5CA1CA2PARP10
SCHEMBL4202113 0.77 ALDH1A1 (0.59) TRPM8ALOX5PARP1ALDH1A1TP53
SCHEMBL3470955 0.77 CA1 (0.55) TRPM8ALOX5CA1CA2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
EP-1401451-A2 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2004-03-31 EP disclosed
WO-2002102782-A2 QUINAZOLINE DERIVATIVES which PROMOTE THE RELEASE OF PARATHYROID_HORMONE NOVARTIS AG (CH) 2002-12-27 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-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA TRPM8 1522/4885ALOX5 3366/4885CA1 80/4885

“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.