SCHEMBL27014163

SCHEMBL27014163

N[C@@H]1c2ccc(F)cc2CC[C@@H]1N1C[C@H]2COC[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 3/20 0.41
▸ NAMPT P43490 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HTR1A P08908 8/20 0.34
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ MLNR O43193 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ KCNE1 P15382 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CNR1 P21554 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
SCHEMBL27014168 1.00 SRD5A1 (0.41) SRD5A1NAMPTIDO1HTR1AKDM5A
SCHEMBL27014175 0.81 SIGMAR1 (0.39) SRD5A1IDO1HTR1A
SCHEMBL27014164 0.78 NAMPT (0.38) SRD5A1NAMPTIDO1HTR1AKDM5A
SCHEMBL25079094 0.72 DRD2 (0.38) SRD5A1NAMPTHTR1ADRD2HTR2A
SCHEMBL11236466 0.71 SRD5A1 (0.43) SRD5A1IDO1DRD2HTR2AHTR2C
SCHEMBL11236468 0.71 SRD5A1 (0.43) SRD5A1IDO1DRD2HTR2AHTR2C
SCHEMBL11236464 0.71 SRD5A1 (0.43) SRD5A1IDO1DRD2HTR2AHTR2C
SCHEMBL5395926 0.67 SRD5A1 (0.45) SRD5A1IDO1HTR2CSLC6A4HTR2B
SCHEMBL29809159 0.67 SRD5A1 (0.45) SRD5A1IDO1HTR2CSLC6A4HTR2B
SCHEMBL2242353 0.67 SRD5A1 (0.45) SRD5A1IDO1HTR2CSLC6A4HTR2B

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 SRD5A1 4075/4885NAMPT 129/4885IDO1 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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