SCHEMBL27014166

SCHEMBL27014166

O=C1c2ccccc2CCC1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
CYP19A1 P11511 1/20 0.42
SIGMAR1 Q99720 5/20 0.42
DRD2 P14416 3/20 0.42
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
HTR1A P08908 2/20 0.42
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL29608349 0.84 POLB (0.48) ACHEPOLBALDH1A1TP53
SCHEMBL4525381 0.77 METAP1 (0.49) ACHESIGMAR1HTR1AALDH1A1
SCHEMBL27646285 0.75 SIGMAR1 (0.68) ACHECYP19A1SIGMAR1DRD2HTR2A
SCHEMBL9136863 0.75 KMT2A (0.43) ACHESIGMAR1DRD2HTR2AHTR2C
SCHEMBL27014158 0.72 DRD2 (0.57) ACHECYP19A1SIGMAR1DRD2HTR2A
SCHEMBL9593095 0.70 KDM4E (0.55) CYP19A1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL9593422 0.70 CYP2D6 (0.52) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7623809 0.70 CHRNA7 (0.46) ACHE
SCHEMBL20061129 0.70 ACHE (0.40) ACHEKDM4EALDH1A1
SCHEMBL12429578 0.70 CYP19A1 (0.42) ACHECYP19A1SIGMAR1DRD2HTR2A

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-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. (US) 2024-01-18 US disclosed
US-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. (US) 2024-01-18 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-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE PINK1, NME4, AK2 ACHE 1644/4885CYP19A1 4264/4885SIGMAR1 4050/4885

“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.