SCHEMBL3596842

SCHEMBL3596842

NC1CCN(CCCc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.60
SCN5A Q14524 1/20 0.51
HTR2A P28223 4/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
HTR6 P50406 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
DRD2 P14416 1/20 0.49

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
SCHEMBL3599810 0.90 SPHK1 (0.63) SPHK1HTR2AHTR2CHTR7HTR6
Methane SCHEMBL3600692 0.89 SPHK1 (0.61) SPHK1HTR2AHTR2CHTR7HTR6
SCHEMBL7228646 0.87 SPHK1 (0.50) SPHK1SCN5AHTR2AHTR2CHTR7
SCHEMBL7550067 0.84 SPHK1 (0.60) SPHK1SCN5AHTR2AHTR2CHTR7
SCHEMBL8821505 0.84 SPHK1 (0.60) SPHK1SCN5AHTR2AHTR2CHTR7
SCHEMBL1587336 0.83 SIGMAR1 (0.70) SPHK1HTR2ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7986320 0.83 SPHK1 (0.58) SPHK1SCN5AHTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL7983474 0.82 SIGMAR1 (0.68) SPHK1HTR2ACYP1A2CYP3A4CYP2D6
SCHEMBL22813547 0.81 SCN5A (0.71) SCN5AHTR2AHTR2CSLC6A4SLC6A3
SCHEMBL1509640 0.81 SPHK1 (0.56) SPHK1CYP1A2CYP3A4CYP2D6

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 5 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
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
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 SPHK1 4111/4885SCN5A 266/4885HTR2A 263/4885

“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.