SCHEMBL3594752

SCHEMBL3594752

Cn1nc2ccccc2c1C(=O)NCC1CCN(CCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.54
▸ HTR4 Q13639 8/20 0.52
▸ HTR2A P28223 7/20 0.51
▸ PTGER4 P35408 1/20 0.47
▸ CACNA1I Q9P0X4 1/20 0.45
▸ GSK3B P49841 2/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL3589692 0.90 HTR4 (0.62) KCNH2HTR4HTR2AGSK3BHDAC6
Hydrochloric Acid SCHEMBL3591507 0.89 HTR4 (0.54) KCNH2HTR4HTR2APTGER4GSK3B
Hydrochloric Acid SCHEMBL3595045 0.88 HTR4 (0.61) KCNH2HTR4HTR2AGSK3BHDAC6
Hydrochloric Acid SCHEMBL3589590 0.87 HTR4 (0.63) KCNH2HTR4HTR2AGSK3B
Hydrochloric Acid SCHEMBL3584914 0.86 GSK3B (0.58) KCNH2HTR4HTR2APTGER4GSK3B
SCHEMBL3603830 0.83 HTR4 (0.47) KCNH2HTR4HTR2AGSK3B
Hydrochloric Acid SCHEMBL3587419 0.80 PTGER4 (0.52) KCNH2HTR4HTR2APTGER4GSK3B
SCHEMBL3604667 0.80 HTR2A (0.46) KCNH2HTR4HTR2AGSK3B
Hydrochloric Acid SCHEMBL3595160 0.78 PTGER4 (0.51) KCNH2HTR4HTR2APTGER4GSK3B
Hydrochloric Acid SCHEMBL3594714 0.76 DRD4 (0.51) KCNH2HTR2APTGER4

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 KCNH2 393/4885HTR4 564/4885HTR2A 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.

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