SCHEMBL27014175

SCHEMBL27014175

NC1c2ccccc2CC[C@@H]1N1CC2COCC2C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ SRD5A1 P18405 3/20 0.37
▸ HTR1A P08908 1/20 0.35

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
SCHEMBL27014168 0.81 SRD5A1 (0.41) IDO1SRD5A1HTR1A
SCHEMBL27014163 0.81 SRD5A1 (0.41) IDO1SRD5A1HTR1A
SCHEMBL27014167 0.79 ACHE (0.41) HSD11B1IDO1SRD5A1HTR1A
SCHEMBL9496731 0.77 CHRNA7 (0.50) SIGMAR1HSD11B1IDO1HTR1A
SCHEMBL9493953 0.71 CHRNA7 (0.50) SIGMAR1IDO1
SCHEMBL1131717 0.68 ANPEP (0.50) IDO1
SCHEMBL6097487 0.68 ANPEP (0.50) IDO1
SCHEMBL29277815 0.68 ANPEP (0.50) IDO1
SCHEMBL1131055 0.68 ANPEP (0.50) IDO1
SCHEMBL21782566 0.68 ANPEP (0.50) IDO1

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 SIGMAR1 4050/4885HSD11B1 4224/4885IDO1 2783/4885

“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.

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