SCHEMBL3590306

SCHEMBL3590306

COc1ccc(CCC(N)C2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SLC6A4 P31645 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAOB P27338 2/20 0.41
CYP1A2 P05177 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL3598731 0.81 DPP4 (0.40) TDP1ALDH1A1TAAR1SLC6A4KMT2A
SCHEMBL8969997 0.80 GBA1 (0.47) SLC6A4
SCHEMBL11358196 0.76 TDP1 (0.50) TDP1SMN1; SMN2ALDH1A1SLC6A4CYP2D6
SCHEMBL9284265 0.75 POLB (0.56) SMN1; SMN2ALDH1A1HTTTAAR1KMT2A
SCHEMBL4251977 0.74 TDP1 (0.59) TDP1SMN1; SMN2ALDH1A1TAAR1MAOB
SCHEMBL7899621 0.74 OPRM1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL11401146 0.72 TDP1 (0.56) TDP1SMN1; SMN2ALDH1A1TAAR1MAOB
SCHEMBL27526570 0.72 GBA1 (0.45) SLC6A4SIGMAR1
SCHEMBL7801436 0.71 TDP1 (0.52) TDP1SMN1; SMN2ALDH1A1SLC6A4CYP2D6
SCHEMBL8975067 0.71 SLC6A4 (0.66) SMN1; SMN2HTTTAAR1SLC6A4MEN1

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 TDP1 851/4885SMN1; SMN2 236/4885ALDH1A1 1299/4885

“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.