SCHEMBL3591082

SCHEMBL3591082

NCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.55
HTR1A P08908 4/20 0.55
HTR2A P28223 4/20 0.55
DRD3 P35462 3/20 0.55
DRD1 P21728 1/20 0.55
DRD5 P21918 1/20 0.55
SIGMAR1 Q99720 1/20 0.49
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
SLC18A3 Q16572 1/20 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
SCHEMBL3595429 0.90 DRD2 (0.59) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8012789 0.89 DRD2 (0.60) DRD2HTR1AHTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL7658854 0.89 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL7657963 0.89 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8001944 0.86 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8011291 0.86 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8001978 0.84 DRD2 (0.63) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL7660501 0.83 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8207578 0.83 DRD2 (0.73) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL11835997 0.83 DRD2 (0.73) DRD2HTR1AHTR2ADRD3DRD1

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 DRD2 542/4885HTR1A 296/4885HTR2A 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.