SCHEMBL3598731

SCHEMBL3598731

NC(CCc1ccc(O)cc1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TAAR1 Q96RJ0 4/20 0.39
SLC6A2 P23975 3/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3A P46098 1/20 0.39
BACE1 P56817 1/20 0.39
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLB P06746 1/20 0.37
GPR4 P46093 1/20 0.36

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
SCHEMBL8969997 0.84 GBA1 (0.47) DPP4SLC6A2SLC6A4SLC6A3
SCHEMBL7989193 0.84 DPP4 (0.49) DPP4ESR1ESR2TAAR1SLC6A2
SCHEMBL3590306 0.81 TDP1 (0.46) TAAR1ALDH1A1CYP2C19KMT2ATDP1
SCHEMBL27526570 0.75 GBA1 (0.45) DPP4SLC6A2SLC6A4SLC6A3
SCHEMBL2406755 0.71 TAAR1 (0.45) TAAR1SLC6A2L3MBTL1HTR3AKMT2A
SCHEMBL1199744 0.71 MAOB (0.53) ESR1ESR2SLC6A2SLC6A4SLC6A3
SCHEMBL17604782 0.71 ANPEP (0.46) TAAR1TDP1
SCHEMBL3577446 0.69 SLC6A2 (0.43) SLC6A2HTR1ASLC6A4SLC6A3
SCHEMBL9390743 0.68 ALDH1A1 (0.44) TAAR1SLC6A2ALDH1A1SLC6A4SLC6A3
SCHEMBL6551164 0.68 SLC18A2 (0.46) ALDH1A1

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 12 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
US-7638534-B2 Use of indazole derivatives for the treatment of neuropathic pain AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2009-12-29 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
EP-1646387-B1 USE OF INDAZOLE DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN ACRAF (IT) 2006-11-15 EP disclosed
US-20060183775-A1 Use of indazole derivatives for the treatment of neuropathic pain AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO S.P.A. (IT) 2006-08-17 US disclosed
EP-1646387-A1 USE OF INDAZOLE DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2006-04-19 EP disclosed
WO-2005013989-A1 USE OF INDAZOLE DERIVATIVES FOR THE TREATMENT OF NEUROPATHIC PAIN AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R..A.F. S.P.A. (IT) 2005-02-17 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 (2 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 DPP4 4418/4885ESR1 4495/4885ESR2 2686/4885
US-20060183775-A1 Use of indazole derivatives for the treatment of neuropathic pain SCN3A, OPRD1, SCN1A DPP4 2888/4885ESR1 3577/4885ESR2 2943/4885

“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.