Sugi Predict

Sugi Predict / Compounds / SCHEMBL21625232

SCHEMBL21625232

SCHEMBL21625232

COC(=O)c1ccc(C2(Cc3ccccc3)CC(=O)CCN2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL3742265 0.86 KMT2A (0.36) ALDH1A1MEN1KMT2AL3MBTL1HTT
SCHEMBL29213845 0.85 CA1 (0.38) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL29213867 0.84 HTR6 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL29213786 0.77 L3MBTL3 (0.39) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL29213831 0.76 CHRM4 (0.41) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL29213787 0.75 CHRM4 (0.38) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL29213818 0.75 GRIN2B (0.37) CA1CA2RAB9ANPC1ALDH1A1
SCHEMBL29213794 0.75 CHRM4 (0.40) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL29213784 0.73 HTR6 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL29213828 0.73 EPHX2 (0.37) CA1CA2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578053-B2 Chemical process for preparing phenylpiperidinyl indole derivatives NOVARTIS AG (CH) 2023-02-14 — — US disclosed
US-20220169630-A1 CHEMICAL PROCESS FOR PREPARING PHENYLPIPERIDINYL INDOLE DERIVATIVES NOVARTIS AG (CH) 2022-06-02 — — US disclosed
US-11208398-B2 Chemical process for preparing phenylpiperidinyl indole derivatives NOVARTIS AG (CH) 2021-12-28 — — US disclosed
EP-3823963-A2 CHEMICAL PROCESS FOR PREPARING PHENYLPIPERIDINYL INDOLE DERIVATIVES Novartis AG (CH) 2021-05-26 — — EP disclosed
WO-2020016749-A2 CHEMICAL PROCESS FOR PREPARING PHENYLPIPERIDINYL INDOLE DERIVATIVES NOVARTIS AG (CH) 2020-01-23 — — WO 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 (3 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-20220169630-A1 CHEMICAL PROCESS FOR PREPARING PHENYLPIPERIDINYL INDOLE DERIVATIVES IDO1, CYP3A7, PAH CA1 2754/4885CA2 587/4885RAB9A 1690/4885
US-11208398-B2 Chemical process for preparing phenylpiperidinyl indole derivatives CYP3A7, CYP3A5, IDO1 CA1 2761/4885CA2 588/4885RAB9A 1824/4885
US-11578053-B2 Chemical process for preparing phenylpiperidinyl indole derivatives IDO1, CYP3A7, PAH CA1 2754/4885CA2 587/4885RAB9A 1690/4885

“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.