SCHEMBL3598572

SCHEMBL3598572

Cn1nc2ccccc2c1C(=O)NCCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ ADRA1A P35348 10/20 0.51
▸ ADRA1B P35368 10/20 0.51
▸ ADRA1D P25100 9/20 0.51
▸ DRD2 P14416 2/20 0.50
▸ HRH1 P35367 2/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CCR3 P51677 2/20 0.48
▸ CCR2 P41597 3/20 0.47

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
SCHEMBL3594962 0.94 MCHR1 (0.49) LMNAADRA1AADRA1BADRA1DDRD2
SCHEMBL3598512 0.79 DRD4 (0.53) CCR3
Hydrochloric Acid SCHEMBL3591507 0.77 HTR4 (0.54) CCR3
Hydrochloric Acid SCHEMBL3594714 0.76 DRD4 (0.51) LMNAADRA1AADRA1DDRD2HRH1
SCHEMBL3605681 0.74 DRD4 (0.50) LMNAADRA1AADRA1DDRD2HRH1
SCHEMBL3604667 0.73 HTR2A (0.46) DRD2CCR3
SCHEMBL229892 0.72 HTR2A (0.54) LMNADRD2
SCHEMBL229891 0.72 HTR2A (0.54) LMNADRD2
SCHEMBL3603830 0.72 HTR4 (0.47) DRD2HRH1
SCHEMBL3598634 0.71 NPC1 (0.49) ADRA1AADRA1BADRA1DDRD2ADRA2A

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 LMNA 995/4885ADRA1A 764/4885ADRA1B 619/4885

“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.

Send feedback