SCHEMBL3597601

SCHEMBL3597601

CN1CCCC(NC(=O)c2cc3ccccc3[nH]2)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.59
KDM5A P29375 1/20 0.55
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HRH4 Q9H3N8 2/20 0.53
CHRNA7 P36544 1/20 0.53
HTR3A P46098 1/20 0.53
MLLT1 Q03111 1/20 0.51
PYGL P06737 1/20 0.51
PYGM P11217 1/20 0.51
AKR1C3 P42330 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
SLC2A1 P11166 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3597598 1.00 GHSR (0.59) GHSRKDM5AKDM4EHSD17B10HRH4
SCHEMBL30175947 0.85 HRH4 (0.59) KDM5AKDM4EHSD17B10HRH4CHRNA7
SCHEMBL4130958 0.84 CCKBR (0.54) KDM5AKDM4EHSD17B10CHRNA7HTR3A
SCHEMBL75198 0.84 MLLT1 (0.65) KDM4EHSD17B10CHRNA7HTR3AMLLT1
SCHEMBL76132 0.84 MLLT1 (0.69) KDM4EHSD17B10CHRNA7HTR3AMLLT1
SCHEMBL3604732 0.84 GHSR (0.49) GHSRKDM5AKDM4EHSD17B10MLLT1
SCHEMBL3604730 0.84 GHSR (0.49) GHSRKDM5AKDM4EHSD17B10MLLT1
SCHEMBL74832 0.82 MLLT1 (0.67) KDM4EHSD17B10CHRNA7HTR3AMLLT1
SCHEMBL74244 0.82 MLLT1 (0.67) KDM4EHSD17B10CHRNA7HTR3AMLLT1
SCHEMBL19837645 0.82 MLLT1 (0.67) KDM4EHSD17B10CHRNA7HTR3AMLLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT GHSR 2639/4885KDM5A 347/4885KDM4E 963/4885

“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.