SCHEMBL3598512

SCHEMBL3598512

Cn1nc2ccccc2c1C(=O)NC1CCN(CCCc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.53
▸ MCHR1 Q99705 3/20 0.48
▸ SLC6A12 P48065 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ CYP2D6 P10635 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ CACNA1G O43497 1/20 0.46
▸ CHRM1 P11229 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ CCR3 P51677 1/20 0.45

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
Hydrochloric Acid SCHEMBL3594714 0.93 DRD4 (0.51) DRD4MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL3605681 0.90 DRD4 (0.50) DRD4MCHR1SLC6A12TMEM97SIGMAR1
SCHEMBL3590593 0.84 NPC1 (0.49) DRD4CCR3
SCHEMBL3598634 0.83 NPC1 (0.49) DRD4SIGMAR1HTR2ACACNA1G
SCHEMBL3595460 0.81 DRD4 (0.58) DRD4MCHR1SLC6A12TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL3591507 0.80 HTR4 (0.54) HTR2AHTR7CCR3
SCHEMBL229892 0.79 HTR2A (0.54) CYP2D6HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL229891 0.79 HTR2A (0.54) CYP2D6HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL3598572 0.79 LMNA (0.51) CCR3
SCHEMBL3594962 0.77 MCHR1 (0.49) MCHR1HTR1A

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 DRD4 1593/4885MCHR1 1271/4885SLC6A12 3284/4885

“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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