SCHEMBL16244903

SCHEMBL16244903

CCOC(=O)c1nn(C2CC2)cc1C(O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MAPT P10636 2/20 0.43
▸ ELANE P08246 3/20 0.40
▸ GABRA2 P47869 3/20 0.40
▸ GABRB2 P47870 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ TARBP2 Q15633 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL16244646 0.83 KDM4E (0.50) KDM4ENPC1RAB9AMAPTELANE
SCHEMBL16244878 0.81 KDM4E (0.48) KDM4ENPC1RAB9AMAPTELANE
SCHEMBL16244305 0.78 S1PR1 (0.39) KDM4ENPC1RAB9AMAPTKMT2A
SCHEMBL16244917 0.78 MAPT (0.43) KDM4ENPC1RAB9AMAPTELANE
SCHEMBL16244220 0.77 BRD4 (0.38) KDM4ENPC1RAB9AMAPTGABRA2
SCHEMBL16244258 0.77 BRD4 (0.39) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL16244489 0.75 NPBWR1 (0.45) KDM4ENPC1RAB9AMAPTGABRA2
SCHEMBL15145571 0.74 TARBP2 (0.40) KDM4ENPC1RAB9AMAPTELANE
SCHEMBL25302211 0.74 NPC1 (0.42) KDM4ENPC1RAB9AELANESMN1; SMN2
SCHEMBL16244645 0.74 KDM4E (0.40) KDM4ENPC1RAB9AMAPTELANE

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 KDM4E 2902/4885NPC1 326/4885RAB9A 1126/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN KDM4E 2965/4885NPC1 327/4885RAB9A 1155/4885

“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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