SCHEMBL3602416

SCHEMBL3602416

NCC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
TAAR1 Q96RJ0 1/20 0.49
CCR3 P51677 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL25541599 0.85 SIGMAR1 (0.59) CCR3KCNH2HRH3
SCHEMBL15223361 0.85 KDM4E (0.61) MAOBALDH1A1CYP3A4
SCHEMBL3600688 0.83 HTR2A (0.57) KCNH2
Hydrochloric Acid SCHEMBL30843800 0.82 KCNH2 (0.56) KCNH2
SCHEMBL1406131 0.80 CCR3 (0.51) MAOBCCR3HRH3
SCHEMBL4700505 0.80 HRH3 (0.62) CCR3HRH3CYP1A2CYP3A4TDP1
SCHEMBL22254776 0.80 HRH3 (0.62) MAOBCCR3SLC6A4HRH3MAPT
SCHEMBL3594852 0.80 CCR3 (0.73) CCR3CARM1PRMT6
Hydrochloric Acid SCHEMBL23124024 0.78 CCR3 (0.71) CCR3KCNH2CARM1PRMT6
SCHEMBL25542020 0.77 SIGMAR1 (0.53) CCR3KCNH2HRH3

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 MAOB 65/4885TAAR1 427/4885CCR3 2769/4885

“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.