SCHEMBL27097472

SCHEMBL27097472

CC1CC(OCCN2CCCCC2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ HRH3 Q9Y5N1 3/20 0.37
▸ TSHR P16473 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PSMB1 P20618 5/20 0.36
▸ PSMB5 P28074 5/20 0.36
▸ PSMB2 P49721 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LTA4H P09960 1/20 0.33

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
SCHEMBL27097577 1.00 NPC1 (0.55) NPC1HRH3TSHRCYP3A4CYP2D6
SCHEMBL27097434 0.89 HRH3 (0.43) NPC1HRH3CYP2D6ALDH1A1
SCHEMBL27097534 0.89 HRH3 (0.43) NPC1HRH3CYP2D6ALDH1A1
SCHEMBL27097601 0.85 NPC1 (0.50) NPC1HRH3CYP2D6CYP1A2TDP1
SCHEMBL14654909 0.81 NPC1 (0.60) NPC1HRH3TSHRCYP2D6CYP1A2
SCHEMBL13939521 0.78 NPC1 (0.88) NPC1HRH3TSHRPSMB1PSMB5
SCHEMBL16016535 0.78 NPC1 (0.88) NPC1HRH3TSHRPSMB1PSMB5
SCHEMBL13367 0.77 NPC1 (0.66) NPC1HRH3PSMB1PSMB5PSMB2
SCHEMBL27097462 0.74 CYP1A2 (0.37) NPC1HRH3TSHRCYP1A2ALDH1A1
SCHEMBL18912343 0.74 NPC1 (0.56) NPC1HRH3PSMB1PSMB5PSMB2

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-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 — — 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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN NPC1 2550/4885HRH3 3443/4885TSHR 4013/4885

“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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