SCHEMBL1509288

SCHEMBL1509288

[C]1CC(c2ccccc2)CC=N1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SLC18A3 Q16572 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
MAP1LC3B Q9GZQ8 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
CTRB1 P17538 1/20 0.31
BRD4 O60885 2/20 0.31

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
SCHEMBL1371597 0.68 SLC18A3 (0.40) GAAMAPTSLC18A3SIGMAR1PIM1
SCHEMBL2013478 0.68 SLC18A3 (0.48) GAAMAPTSLC18A3SIGMAR1ADRA1A
SCHEMBL8635652 0.66 GAA (0.50) GAAMAPTSLC18A3SIGMAR1ADRA1A
SCHEMBL4169706 0.65 SLC18A3 (0.42) GAAMAPTSLC18A3SIGMAR1ADRA1A
SCHEMBL778067 0.64 SLC18A3 (0.44) GAAMAPTSLC18A3SIGMAR1ADRA1A
Hydrochloric Acid SCHEMBL6997190 0.64 SLC18A3 (0.41) GAAMAPTSLC18A3SIGMAR1ADRA1A
SCHEMBL8510366 0.63 SLC18A3 (0.48) GAAMAPTSLC18A3SIGMAR1ADRA1A
SCHEMBL4426335 0.63 SLC18A3 (0.35) GAAMAPTSLC18A3SIGMAR1ADRA1A
SCHEMBL385172 0.63 SLC18A3 (0.48) GAAMAPTSLC18A3SIGMAR1AKR1C3
SCHEMBL4224175 0.63 SLC18A3 (0.43) GAAMAPTSLC18A3SIGMAR1AKR1C3

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797892-B1 Use of modified cyclosporins for the treatment of HCV disorders NOVARTIS AG (CH) 2013-10-23 EP disclosed
US-7968518-B2 Use of modified cyclosporins for the treatment of HCV disorders NOVARTIS AG (CH) 2011-06-28 US disclosed
US-7897565-B2 Compositions for HCV treatment NOVARTIS AG (CH) 2011-03-01 US disclosed
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES VISKOV CHRISTIAN 2010-07-08 US disclosed
US-20100130408-A1 USE OF MODIFIED CYCLOSPORINS KOHJIMA MOTOYUKI 2010-05-27 US disclosed
US-7678766-B2 Process for the preparation of cyclosporin derivatives AVENTIS PHARMA S.A. (FR) 2010-03-16 US disclosed
US-20090214464-A1 COMPOUNDS FOR FLAVIVIRIDAE TREATMENT NOVARTIS AG (CH) 2009-08-27 US disclosed
US-20090104149-A1 Compositions For HCV Treatment NOVARTIS AG (CH) 2009-04-23 US disclosed
EP-1098903-B1 METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES AVENTIS PHARMA SA (FR) 2008-09-03 EP disclosed
US-20070275884-A1 Use of modified cyclosporins for the treatment of hcv disorders NOVARTIS AG (CH) 2007-11-29 US disclosed
US-5977067-A THERAPY FOR RETROVIRUSES INFECTIONS RHONE-POULENC RORER S.A. (FR) 1999-11-02 US disclosed
EP-0951474-A1 NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-27 EP disclosed
EP-0948527-A1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-13 EP disclosed
US-5965527-A CYCLOSPORIN A SULFIDED AT THE 3 POSITION BY R-(CH)N-S-BY REACTING A LITHIUM-ACTIVATED DERIVATIVE WITH THE DISULFIDE; SYNERGISTIC MIXTURE WITH A RETROVIRUS VIRICIDE; SIDE-EFFECT REDUCTION; AIDS AND ARC (AIDS RELATED COMPLEX) RHONE-POULENC RORER, S.A. (FR) 1999-10-12 US disclosed
WO-1999032512-A1 NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES AVENTIS PHARMA (FR) 1999-07-01 WO disclosed
WO-1998049193-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-11-05 WO disclosed
WO-1998028330-A1 NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-07-02 WO disclosed
WO-1998028329-A1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-07-02 WO disclosed
EP-0545421-A1 4-(4-piperidinyl-thieno(3,2-c)pyridine derivatives of N-alkylglutarimides as antipsychotic agents Bristol-Myers Squibb Company (US) 1993-06-09 EP disclosed
US-5137894-A Psychological disorders BRISTOL-MYERS SQUIBB COMPANY A CORPORATION OF DELAWARE 1992-08-11 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 (5 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-20100130408-A1 USE OF MODIFIED CYCLOSPORINS CHP1, SERPINA6, FKBP2 GAA 1480/4885MAPT 4212/4885SLC18A3 2386/4885
US-20090104149-A1 Compositions For HCV Treatment HAVCR2, PPIB, FKBP1B GAA 1597/4885MAPT 2578/4885SLC18A3 3863/4885
US-20070275884-A1 Use of modified cyclosporins for the treatment of hcv disorders HAVCR2, FKBP1A, FKBP2 GAA 947/4885MAPT 3684/4885SLC18A3 3731/4885
US-20090214464-A1 COMPOUNDS FOR FLAVIVIRIDAE TREATMENT HAVCR2, PPIG, PPIH GAA 861/4885MAPT 2866/4885SLC18A3 3033/4885
US-20100173838-A1 NOVEL PROCESS FOR THE PREPARATION OF CYCLOSPORIN DERIVATIVES MGMT, MALT1, CHP1 GAA 1325/4885MAPT 4440/4885SLC18A3 4067/4885

“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.