SCHEMBL29862389

SCHEMBL29862389

Brc1cnc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ACP1 P24666 1/20 0.40
▸ CCR1 P32246 4/20 0.39
▸ CCR8 P51685 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL1544265 1.00 HTT (0.47) HTTCYP1A2CYP2C19ACP1CCR1
SCHEMBL29473294 0.80 CCR1 (0.62) HTTCYP1A2CYP2C19CCR1CCR8
SCHEMBL913400 0.80 CCR1 (0.62) HTTCYP1A2CYP2C19CCR1CCR8
SCHEMBL1500697 0.79 SMN1; SMN2 (0.48) HTTSMN1; SMN2DYRK1AMAPTKDM4E
Hydrochloric Acid SCHEMBL30950693 0.79 CCR1 (0.61) HTTCYP1A2CYP2C19CCR1CCR8
SCHEMBL2619133 0.75 CCR1 (0.67) CYP1A2ACP1CCR1CCR8CCR5
SCHEMBL169260 0.75 MAPT (0.52) HTTACP1CCR1CCR8SMN1; SMN2
SCHEMBL18459627 0.75 ACP1 (0.40) HTTCYP1A2CYP2C19ACP1CCR1
SCHEMBL30468180 0.75 ACP1 (0.40) HTTCYP1A2CYP2C19ACP1CCR1
SCHEMBL276491 0.75 ACP1 (0.43) HTTCYP1A2CYP2C19ACP1CCR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246981-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-07-25 — — US disclosed
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 — — CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 — — CN 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-20240246981-A1 PHENYLPIPERIDINE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GGCT HTT 194/4885CYP1A2 3809/4885CYP2C19 1991/4885

“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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