SCHEMBL3594824

SCHEMBL3594824

Cn1nc2ccccc2c1C(=O)N1CCC(CNCCc2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ PTGER4 P35408 1/20 0.44
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ CCR3 P51677 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRIN2B Q13224 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PDE2A O00408 1/20 0.39

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 SCHEMBL3590261 0.99 PTGER4 (0.46) KMT2APTGER4SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3594885 0.87 HTR2A (0.48) PDE2A
Hydrochloric Acid SCHEMBL3594965 0.81 L3MBTL1 (0.40) KMT2APTGER4MEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL3591507 0.79 HTR4 (0.54) PTGER4CCR3KCNH2
SCHEMBL3589820 0.77 PDE2A (0.46) KMT2AMEN1PDE2A
SCHEMBL1808419 0.76 ADRB2 (0.47) KMT2AMEN1NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL3594714 0.74 DRD4 (0.51) KMT2APTGER4SLC6A2SLC6A4SLC6A3
SCHEMBL3605681 0.74 DRD4 (0.50) KMT2APTGER4SLC6A2SLC6A4SLC6A3
SCHEMBL3598512 0.74 DRD4 (0.53) CCR3
Ammonia Solution, Strong SCHEMBL27785514 0.73 ACHE (0.51) KMT2AMEN1NPC1RAB9APDE2A

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 KMT2A 1204/4885PTGER4 3047/4885SLC6A2 174/4885

“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