SCHEMBL7366715

SCHEMBL7366715

CN1CCN(c2cc(O)ccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
RAD52 P43351 1/20 0.51
DRD2 P14416 7/20 0.50
DRD3 P35462 7/20 0.50
POLB P06746 1/20 0.47
DRD1 P21728 5/20 0.47
DRD5 P21918 4/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
DRD4 P21917 4/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
ESR1 P03372 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL29566344 0.87 MAPT (0.62) KDM4EMAPTRAD52DRD2DRD3
SCHEMBL24309781 0.87 MAPT (0.62) KDM4EMAPTRAD52DRD2DRD3
SCHEMBL2941128 0.83 ALDH1A1 (0.47) KDM4EMAPTPOLBHSD17B10ESR1
SCHEMBL17659123 0.81 DRD2 (0.51) KDM4EMAPTRAD52DRD2DRD3
SCHEMBL15597488 0.80 MAPT (0.53) KDM4EMAPTRAD52DRD2DRD3
SCHEMBL6977532 0.79 MAPT (0.75) KDM4EMAPTRAD52DRD2DRD3
SCHEMBL16803397 0.79 KDM4E (0.67) KDM4EMAPTRAD52DRD2DRD3
SCHEMBL2390962 0.79 ALDH1A1 (0.47) KDM4EMAPTRAD52DRD2DRD3
SCHEMBL6068542 0.79 MAPT (0.53) KDM4EMAPTHSP90AA1HSP90AB1HSD17B10
SCHEMBL24309509 0.76 HSP90AA1 (0.54) KDM4EMAPTRAD52DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
CN-1214047-A Novel aromatic piperazines derived from substituted cyclic azaalkanes, method for the production thereof, pharmaceutical compositions and use thereof as medicaments PF MEDICAMENT (FR) 1999-04-14 CN disclosed
CN-1212690-A Novel derivatives of 1- (piperazin-1-yl) -aryl- (oxy/amino) -carbonyl/-4-aryl-piperidine as selective 5-HT1DBeta receptor antagonist piperidines PF MEDICAMENT (FR) 1999-03-31 CN disclosed
EP-0886636-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT-1D.BETA. RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1998-12-30 EP disclosed
EP-0880512-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1998-12-02 EP disclosed
US-5789412-A 5-HYDROXYTRYPTAMINE (SEROTONIN) RECEPTOR ANTAGONISTS FOR THE CURATIVE OR PREVENTIVE TREATMENT OF PAIN, DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS, ANXIETY OR PANIC ATTACK, OR CANCER PIERRE FABRE MEDICAMENT (FR) 1998-08-04 US disclosed
WO-1997028140-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT1Db RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed
WO-1997028141-A1 NOVEL AROMATIC PIPERAZINES DERIVED FROM SUBSTITUTED CYCLOAZANES, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1997014689-A1 ARYL-PIPERAZINE CYCLIC AMINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME PIERRE FABRE MEDICAMENT (FR) 1997-04-24 WO disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4141/4885MAPT 4864/4885RAD52 4705/4885

“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.