SCHEMBL27228403

SCHEMBL27228403

CC(C)CCN1CCCCC(N)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.36
MMP2 P08253 1/20 0.36
CYP1A2 P05177 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
PTPN11 Q06124 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP1 P03956 1/20 0.31

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
SCHEMBL26506964 0.94 ROCK2 (0.37) MMP8MMP2ROCK2ROCK1PTPN11
SCHEMBL13634452 0.94 ROCK2 (0.37) MMP8MMP2ROCK2ROCK1PTPN11
Hydrochloric Acid SCHEMBL25327051 0.93 ROCK2 (0.36) MMP8MMP2ROCK2ROCK1PTPN11
Hydrochloric Acid SCHEMBL25327058 0.93 ROCK2 (0.36) MMP8MMP2ROCK2ROCK1PTPN11
SCHEMBL18575434 0.86 GNAI3 (0.40) ROCK2ROCK1ARG1ARG2SIGMAR1
SCHEMBL15670728 0.85 PIK3CD (0.42) MMP8MMP2CYP1A2KDM4ECHRM5
SCHEMBL102223 0.81 PIK3CD (0.42) MMP8MMP2PTPN11KDM4ECHRM5
SCHEMBL172560 0.77 CARM1 (0.44) KDM4EALDH1A1
SCHEMBL2761697 0.77 GNAI3 (0.43) CYP1A2PTPN11CHRM5ADRA2CHRH2
SCHEMBL856657 0.76 GNAI3 (0.50) MMP8MMP2ARG1ARG2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-05-30 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-20240174671-A1 New 2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine Derivatives as Sigma Ligands SIGMAR1, OPRD1, TMEM97 MMP8 4836/4885MMP2 4757/4885CYP1A2 238/4885

“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.