SCHEMBL3589864

SCHEMBL3589864

NC1CCN(CCc2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
TAAR1 Q96RJ0 1/20 0.47
HTR2A P28223 6/20 0.46
KCNH2 Q12809 4/20 0.46
HTR2C P28335 3/20 0.46
DRD2 P14416 2/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
CACNA1G O43497 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
ATM Q13315 1/20 0.46
GRM2 Q14416 1/20 0.45
OPRM1 P35372 3/20 0.44
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43

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
Methane SCHEMBL3600037 0.98 MAOA (0.51) MAOAMAOBTAAR1HTR2AKCNH2
SCHEMBL13376812 0.88 OPRM1 (0.46) MAOAMAOBHTR2AKCNH2HTR2C
SCHEMBL3600033 0.84 CXCR4 (0.54) MAOAMAOBTAAR1HTR2AKCNH2
SCHEMBL2858039 0.83 ALDH1A1 (0.64) MAOAMAOBATMSIGMAR1ALDH1A1
SCHEMBL24322719 0.81 TAAR1 (0.57) TAAR1HTR2AKCNH2GRM2SIGMAR1
SCHEMBL9556728 0.81 CACNA1G (0.54) MAOAMAOBHTR2AHTR2CCACNA1G
SCHEMBL5871635 0.80 HTR2A (0.46) MAOAMAOBHTR2AKCNH2HTR2C
SCHEMBL12073194 0.80 ALDH1A1 (0.68) TAAR1HTR2AKCNH2GRM2SIGMAR1
SCHEMBL5752361 0.77 SIGMAR1 (0.51) TAAR1HTR2AKCNH2GRM2HTR1A
SCHEMBL5781401 0.77 GRM2 (0.50) MAOAMAOBTAAR1HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507528-B2 2-alkyl-indazole compounds for the treatment of certain cns-related disorders AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-13 US disclosed
CN-101558057-B 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF 2013-05-01 CN disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP disclosed
US-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-03-04 US disclosed
CN-101558057-A 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF (IT) 2009-10-14 CN disclosed
EP-2099780-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-09-16 EP disclosed
WO-2008061688-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-05-29 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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA MAOA 162/4885MAOB 65/4885TAAR1 427/4885

“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.