SCHEMBL3590284

SCHEMBL3590284

COc1ccc(CCN2CCC(CC(N)=O)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.60
HRH3 Q9Y5N1 1/20 0.57
HTR1A P08908 1/20 0.56
SLC6A4 P31645 1/20 0.56
OPRM1 P35372 2/20 0.53
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL5190613 0.85 NPC1 (0.58) SIGMAR1HRH3
SCHEMBL8006204 0.82 CCR3 (0.63) SIGMAR1
SCHEMBL3590302 0.82 SIGMAR1 (0.69) SIGMAR1HRH3HTR1ASLC6A4KCNH2
SCHEMBL8971246 0.81 DRD2 (0.59) SIGMAR1OPRM1
SCHEMBL7841889 0.80 SIGMAR1 (0.65) SIGMAR1HRH3HTR1AOPRM1KCNJ1
SCHEMBL4702449 0.80 TDP1 (0.54) HRH3
SCHEMBL10499190 0.79 SIGMAR1 (0.73) SIGMAR1HRH3HTR1ASLC6A4KCNJ1
Hydrochloric Acid SCHEMBL1414107 0.79 SIGMAR1 (0.63) SIGMAR1HRH3HTR1AOPRM1
SCHEMBL8669489 0.79 SIGMAR1 (0.67) SIGMAR1HRH3HTR1ASLC6A4OPRM1
SCHEMBL3590279 0.79 SIGMAR1 (0.58) SIGMAR1HRH3HTR1ASLC6A4KCNJ1

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 SIGMAR1 1349/4885HRH3 348/4885HTR1A 296/4885

“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.