SCHEMBL3604667

SCHEMBL3604667

Cn1nc2ccccc2c1C(=O)NCC1CCN(CCc2ccc(F)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 12/20 0.46
▸ HTR2C P28335 7/20 0.46
▸ KCNH2 Q12809 4/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ HTR4 Q13639 6/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ CCR3 P51677 1/20 0.42
▸ GSK3B P49841 1/20 0.42

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
SCHEMBL3603830 0.91 HTR4 (0.47) HTR2AKCNH2DRD2HTR4GSK3B
Hydrochloric Acid SCHEMBL3591507 0.86 HTR4 (0.54) HTR2AHTR2CKCNH2HTR4CCR3
SCHEMBL3589692 0.83 HTR4 (0.62) HTR2AKCNH2HTR4GSK3B
Hydrochloric Acid SCHEMBL3595045 0.82 HTR4 (0.61) HTR2AKCNH2HTR4GSK3B
Hydrochloric Acid SCHEMBL3594885 0.80 HTR2A (0.48) HTR2AHTR2C
Hydrochloric Acid SCHEMBL3584914 0.80 GSK3B (0.58) HTR2AKCNH2HTR4GSK3B
SCHEMBL3594752 0.80 KCNH2 (0.54) HTR2AKCNH2HTR4GSK3B
SCHEMBL3594416 0.79 GSK3B (0.48) HTR2AKCNH2HTR4GSK3B
Hydrochloric Acid SCHEMBL3589590 0.79 HTR4 (0.63) HTR2AKCNH2HTR4GSK3B
SCHEMBL3598634 0.78 NPC1 (0.49) HTR2AKCNH2DRD2

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 HTR2A 263/4885HTR2C 173/4885KCNH2 393/4885

“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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