SCHEMBL3589820

SCHEMBL3589820

Cn1nc2ccccc2c1C(=O)N1CCC(CN)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ HTR2C P28335 6/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ BCDIN3D Q7Z5W3 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL27785514 0.84 ACHE (0.51) PDE2APKMMEN1KMT2AALDH1A1
SCHEMBL3594824 0.77 KMT2A (0.46) PDE2AMEN1KMT2A
Hydrochloric Acid SCHEMBL3590261 0.77 PTGER4 (0.46) MEN1KMT2A
SCHEMBL1808419 0.75 ADRB2 (0.47) PDE2AMEN1KMT2AALDH1A1
SCHEMBL1809070 0.75 CNR1 (0.49) PDE2AALDH1A1
SCHEMBL1808038 0.74 SPR (0.47) PDE2APKMHTR2CHTR2AMGLL
Hydrochloric Acid SCHEMBL3594965 0.74 L3MBTL1 (0.40) PDE2APKMHTR2CCHRM1CHRM3
Hydrochloric Acid SCHEMBL3594885 0.74 HTR2A (0.48) PDE2AHTR2CHTR2AMGLL
SCHEMBL23367117 0.73 KDM5A (0.41) PDE2AMGLLKDM4EMAPT
Hydrochloric Acid SCHEMBL23354423 0.72 KDM5A (0.40) PDE2AMGLLKDM4EMAPT

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 PDE2A 1186/4885PKM 1803/4885HTR2C 173/4885

“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.

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