SCHEMBL16244641

SCHEMBL16244641

CCOC(=O)c1nn(C)cc1C(Nc1cc(F)c(=O)n(C)c1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ P2RX3 P56373 9/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ APP P05067 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ NPBWR1 P48145 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
SCHEMBL16259906 0.91 KDM4E (0.39) S1PR1S1PR3P2RX3KDM4ENPC1
SCHEMBL16244452 0.91 KDM4E (0.39) S1PR1S1PR3P2RX3KDM4ENPC1
SCHEMBL16244691 0.87 BRD4 (0.39) S1PR1S1PR3P2RX3RAB9ASMN1; SMN2
SCHEMBL16245048 0.85 S1PR1 (0.42) S1PR1S1PR3P2RX3KDM4ENPC1
SCHEMBL19159027 0.84 BRD4 (0.35) S1PR1S1PR3P2RX3MAPTBRD4
SCHEMBL16244757 0.82 P2RX3 (0.41) S1PR1S1PR3P2RX3KDM4ENPC1
SCHEMBL16244714 0.82 BRD4 (0.39) S1PR1S1PR3P2RX3KDM4ENPC1
SCHEMBL16244258 0.80 BRD4 (0.39) S1PR1S1PR3P2RX3KDM4ENPC1
SCHEMBL16244220 0.80 BRD4 (0.38) S1PR1S1PR3P2RX3KDM4ENPC1
SCHEMBL16244949 0.79 BRD4 (0.38) SMN1; SMN2BRD4

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 10 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
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
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 S1PR1 356/4885S1PR3 296/4885P2RX3 55/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN S1PR1 344/4885S1PR3 289/4885P2RX3 52/4885

“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.

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