SCHEMBL16625907

SCHEMBL16625907

CC(C)(C)OC(O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RAB9A P51151 1/20 0.47
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TGM2 P21980 4/20 0.39
HTT P42858 1/20 0.37
MLYCD O95822 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL611770 0.80 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL17523344 0.80 MAPT (0.62) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27765211 0.78 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL2401634 0.78 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL1392727 0.78 MAPT (0.68) MAPTPOLBSMN1; SMN2RAB9AALDH1A1
SCHEMBL29435691 0.78 MAPT (0.68) MAPTPOLBSMN1; SMN2RAB9AALDH1A1
SCHEMBL4696975 0.77 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL26641270 0.77 MAPT (0.70) MAPTPOLBSMN1; SMN2RAB9AALDH1A1
SCHEMBL6364471 0.76 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27765218 0.76 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2

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-20150099760-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF NOVARTIS AG (CH) 2015-04-09 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-20150099760-A1 SALT(S) OF 7-CYCLOPENTYL-2-(5-PIPERAZIN-1-YL-PYRIDIN-2-YLAMINO)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID DIMETHYLAMIDE AND PROCESSES OF MAKING THEREOF PKD2, SLC6A7, DHPS MAPT 1550/4885POLB 1969/4885SMN1; SMN2 1136/4885

“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.