Sugi Predict

Sugi Predict / Compounds / SCHEMBL31663791

SCHEMBL31663791

SCHEMBL31663791

CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(NC(=O)C3CC3)cc2Br)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ PTPN6 P29350 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ABL1 P00519 1/20 0.49
▸ RIN1 Q13671 1/20 0.49
▸ PIK3CD O00329 4/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ PIK3CB P42338 2/20 0.49
▸ PIK3CG P48736 2/20 0.49
▸ PDE4B Q07343 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ FPR3 P25089 3/20 0.45
▸ FPR2 P25090 3/20 0.45
▸ PDE4A P27815 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL29619078 0.94 NPC1 (0.52) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL18152346 0.83 USP30 (0.45) NPC1RAB9APIK3CDPDE4BPDE4A
SCHEMBL18165190 0.82 PDE4B (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL31663787 0.82 PIK3CD (0.53) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL30011780 0.82 PDE4B (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29054073 0.82 PDE4B (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL18165158 0.82 PDE4B (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL19404343 0.81 TOP2A (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL18165187 0.81 TOP2A (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL18165189 0.81 PDE4B (0.46) NPC1RAB9APIK3CDPIK3CAPIK3CB

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-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2026-02-24 — — US disclosed
US-20250270172-A1 Pyrimidine Derivatives As Modulators of the 5-HT2A Serotonin Receptor Useful For The Treatment of Disorders Related Thereto ARENA PHARMACEUTICALS, INC. (US) 2025-08-28 — — US disclosed
EP-4236937-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2025-07-23 — — EP 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-20250270172-A1 Pyrimidine Derivatives As Modulators of the 5-HT2A Serotonin Receptor Useful For The Treatment of Disorders Related Thereto HTR2A, HTR5A, HTR1A PTPN2 2196/4885PTPN1 2605/4885PTPN6 2027/4885
US-12559462-B2 Pyrimidine derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR2C, HTR1A, HTR2A PTPN2 2187/4885PTPN1 2124/4885PTPN6 2064/4885

“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.