SCHEMBL16244346

SCHEMBL16244346

CCOC(=O)c1nn(C2CC2)c(C)c1I

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
ELANE P08246 5/20 0.38
PDE4A P27815 1/20 0.37
MAPT P10636 4/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
GRK6 P43250 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35

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
SCHEMBL16100241 0.80 ELANE (0.38) TP53ALOX12ELANEHSD17B10ALDH1A1
SCHEMBL16100242 0.80 ELANE (0.38) TP53ALOX12ELANEHSD17B10ALDH1A1
SCHEMBL16244423 0.77 PDE7A (0.39) MAPTHSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16244558 0.76 PDE4A (0.41) TP53ALOX12ELANEPDE4AMAPT
SCHEMBL1357791 0.76 MAPT (0.40) MAPTALDH1A1KMT2A
SCHEMBL1357790 0.76 MAPT (0.40) MAPTALDH1A1KMT2A
SCHEMBL22900339 0.75 PDE4A (0.45) TP53ALOX12ELANEPDE4AALDH1A1
SCHEMBL16244492 0.72 ADORA3 (0.41) TP53ALOX12ELANEPDE4AALDH1A1
SCHEMBL30130701 0.72 ELANE (0.38) TP53ALOX12ELANEPDE4AMAPT
SCHEMBL32663501 0.72 SMN1; SMN2 (0.38) TP53ALOX12ELANEMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004110-B1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-07-26 EP disclosed
EP-3004110-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2016-04-13 EP disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 US disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 US disclosed
US-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 US disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
US-8975417-B2 Pyrazolopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2015-03-10 US disclosed
WO-2014191896-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 US disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 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 (2 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-20160095843-A1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE PKD1, PKD2, REN TP53 2664/4885ALOX12 3424/4885ELANE 1831/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN TP53 2686/4885ALOX12 3408/4885ELANE 1798/4885

“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.