SCHEMBL3594962

SCHEMBL3594962

Cn1nc2ccccc2c1C(=O)NCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.49
▸ DRD3 P35462 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ADRA1D P25100 3/20 0.44
▸ ADRA1A P35348 3/20 0.44
▸ ADRA1B P35368 3/20 0.44
▸ PLD1 Q13393 1/20 0.44
▸ PLD2 O14939 1/20 0.44
▸ PTGER4 P35408 1/20 0.43
▸ HTR1A P08908 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
SCHEMBL3598572 0.94 LMNA (0.51) DRD2LMNAADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL3591507 0.78 HTR4 (0.54) PTGER4
Hydrochloric Acid SCHEMBL3594714 0.78 DRD4 (0.51) MCHR1DRD3DRD2LMNASMN1; SMN2
SCHEMBL3598512 0.77 DRD4 (0.53) MCHR1HTR1A
SCHEMBL3605681 0.76 DRD4 (0.50) MCHR1DRD3DRD2LMNASMN1; SMN2
SCHEMBL3604667 0.74 HTR2A (0.46) DRD2ALDH1A1
SCHEMBL9456766 0.74 PLD1 (0.58) MCHR1DRD3DRD2PLD1PLD2
SCHEMBL229892 0.73 HTR2A (0.54) DRD3DRD2LMNASMN1; SMN2
SCHEMBL229891 0.73 HTR2A (0.54) DRD3DRD2LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9323702 0.73 PLD1 (0.57) MCHR1DRD3DRD2PLD1PLD2

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 MCHR1 1271/4885DRD3 468/4885DRD2 542/4885

“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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