SCHEMBL21419827

SCHEMBL21419827

I[C@H]1CCCN(Cc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ ACHE P22303 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ BCHE P06276 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ MAOB P27338 1/20 0.49
▸ CCR3 P51677 1/20 0.49

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
SCHEMBL22755862 1.00 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL22498129 0.89 ACHE (0.62) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL22498123 0.88 ACHE (0.61) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL14742553 0.81 FUCA1 (0.60) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL4815665 0.81 CYP2D6 (0.68) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL17286378 0.80 CYP2D6 (0.62) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL5304176 0.79 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL3023682 0.79 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL994346 0.79 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL22829165 0.79 CYP2D6 (0.66) CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19

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-10851099-B2 Dipeptide piperidine derivatives Oncoarendi Therapeutics S.A. (PL) 2020-12-01 — — US disclosed
US-20190300525-A1 DIPEPTIDE PIPERIDINE DERIVATIVES Oncoarendi Therapeutics S.A. (PL) 2019-10-03 — — 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 (2 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-10851099-B2 Dipeptide piperidine derivatives ARG1, ARG2, PEPD CYP2D6 2544/4885CYP3A4 3235/4885ALDH1A1 1726/4885
US-20190300525-A1 DIPEPTIDE PIPERIDINE DERIVATIVES ARG1, ARG2, PEPD CYP2D6 2544/4885CYP3A4 3235/4885ALDH1A1 1726/4885

“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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