SCHEMBL6827010

SCHEMBL6827010

CC1CN(C=O)CC(C)N1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
MAPK1 P28482 1/20 0.30
HTR2B P41595 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SCARB1 Q8WTV0 1/20 0.30

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
SCHEMBL12728112 1.00 CYP2C9 (0.33) CYP2C9TSHRCYP2C19TDP1SIGMAR1
SCHEMBL15898936 0.84
SCHEMBL18262297 0.76 CYP2C9 (0.35) CYP2C9TSHRCYP2C19TDP1SIGMAR1
SCHEMBL6628037 0.75
SCHEMBL16939953 0.75
SCHEMBL1543140 0.73
SCHEMBL14831175 0.73
Hydrochloric Acid SCHEMBL17560434 0.72 BIRC2 (0.36) ALDH1A1
SCHEMBL6631181 0.70 ALDH1A1 (0.35) CYP2C9MEN1ALDH1A1KMT2A
SCHEMBL14038431 0.69 SIGMAR1 (0.34) CYP2C9TSHRCYP2C19SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831325-A Novel indole derivatives, and preparation method and application thereof 沈阳药科大学 2021-12-24 CN claimed
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
CN-113831325-A Novel indole derivatives, and preparation method and application thereof 沈阳药科大学 2021-12-24 CN disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
US-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands ASTRAZENECA AB (SE) 2004-04-08 US disclosed
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 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 (4 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 CYP2C9 4629/4885TSHR 4432/4885CYP2C19 4716/4885
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 CYP2C9 2552/4885TSHR 3969/4885CYP2C19 2331/4885
US-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands NPY5R, NPY1R, NPY2R CYP2C9 1186/4885TSHR 95/4885CYP2C19 666/4885
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R CYP2C9 712/4885TSHR 4501/4885CYP2C19 226/4885

“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.