SCHEMBL2429930

SCHEMBL2429930

CN1CCN(CCCS(=O)(=O)N2CCC(N)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
HTR4 Q13639 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 2/20 0.36
SMYD3 Q9H7B4 1/20 0.36
PAOX Q6QHF9 1/20 0.36
IKBKB O14920 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL5212310 0.79 NCF1 (0.49) GNAI3GNAO1GNAI1HTR4
SCHEMBL1564007 0.78 NPC1 (0.45) GNAI3GNAO1GNAI1ALOX15KDM4E
SCHEMBL4195676 0.78 HTR4 (0.38) HTR4SMYD3PAOXKDM4EALDH1A1
SCHEMBL2426907 0.77 ALOX15 (0.46) GNAI3GNAO1GNAI1SMN1; SMN2ALOX15
SCHEMBL5212302 0.77 SMN1; SMN2 (0.50) HTR4SMN1; SMN2ALOX15ALDH1A1
SCHEMBL5215119 0.76 HTR4 (0.44) GNAI3GNAO1GNAI1HTR4ALDH1A1
SCHEMBL13993568 0.76 ALDH1A1 (0.43) SMN1; SMN2ALOX15KDM4EALDH1A1
SCHEMBL2431419 0.76 ALOX15 (0.45) GNAI3GNAO1GNAI1SMN1; SMN2ALOX15
SCHEMBL24571244 0.75 EPHX2 (0.40) GNAI3GNAO1GNAI1SMYD3KDM4E
SCHEMBL17284623 0.75 GNAI3 (0.53) GNAI3GNAO1GNAI1SPHK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 GNAI3 155/4885GNAO1 1491/4885GNAI1 107/4885

“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.