Sugi Predict

Sugi Predict / Compounds / SCHEMBL4718969

SCHEMBL4718969

SCHEMBL4718969

c1cc(N2CCCCC2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CASP1 P29466 1/20 0.37
▸ CASP4 P49662 1/20 0.37
▸ CASP5 P51878 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MAPK1 P28482 2/20 0.36

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
SCHEMBL11753233 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL5781067 1.00 ALDH1A1 (0.43) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL7167376 0.98 ALDH1A1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL28956840 0.93 — —
Pyrazole SCHEMBL8016222 0.88 HPGD (0.40) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL18592849 0.81 ELOVL1 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL1559213 0.81 PLD1 (0.48) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL18592825 0.80 L3MBTL3 (0.53) L3MBTL1
SCHEMBL4939322 0.79 HTT (0.42) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL18592791 0.79 HTR3A (0.46) ALDH1A1KDM4ECYP1A2HRH4

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 — — WO claimed
US-20240293381-A1 Therapeutic Compounds CELGENE QUANTICEL RES INC (US) 2024-09-05 — — US claimed
US-20210205284-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-07-08 — — US claimed
CN-111285890-A Compound with antiviral and antibacterial activities 中昊(大连)化工研究设计院有限公司 2020-06-16 — — CN claimed
US-20200163946-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-28 — — US claimed
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 — — US claimed
EP-3612522-A1 THERAPEUTIC COMPOUNDS Celgene Quanticel Research, Inc. (US) 2020-02-26 — — EP claimed
WO-2018195155-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-10-25 — — WO claimed
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 — — US claimed
CN-100560582-C Piperidyl pyrazole compound and method for making thereof and application SHANGHAI BAIRUI BIOTECHNOLOGY (CN) 2009-11-18 — — CN claimed
CN-101100467-A Piperidinopyrazoles compound and its preparation method and application SHANGHAI BAIRUI BIOTECHNOLOGY (CN) 2008-01-09 — — CN claimed
WO-2005061485-A1 PROCESS FOR MAKING SUBSTITUTED PYRAZOLES PHARMACIA CORPORATION (US) 2005-07-07 — — WO claimed
WO-2025149628-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF NICOTINAMIDE N-METHYL TRANSFERASE ASTRAZENECA AB (SE) 2025-07-17 — — WO disclosed
CN-120058674-A 4 (1H-pyrazol-3-yl) piperidinyl derivative, preparation method thereof and application thereof in preparation of MNK inhibitor 烟台新药创制山东省实验室 2025-05-30 — — CN disclosed
US-11890275-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. 2024-02-06 — — US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 — — US disclosed
US-5965537-A ANTICANCER AGENTS; WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 — — US disclosed
WO-1998040400-A1 DOLASTATIN 15 DERIVATIVES WITH CARBONYL AND HETEROCYCLIC FUNCTIONALITIES AT THE C-TERMINUS BASF AKTIENGESELLSCHAFT (DE) 1998-09-17 — — WO disclosed
US-4044013-A POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1977-08-23 — — US disclosed
US-4029492-A Novel 1,2-dialkylpyrazolium compounds having 3-(or 3,5-) nitrogen-containing heterocyclic group as herbicides AMERICAN CYANAMID COMPANY (US) 1977-06-14 — — 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 (7 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-20240293381-A1 Therapeutic Compounds EP300, BRD4, BRD3 ALDH1A1 3907/4885MAPT 1888/4885HPGD 2034/4885
US-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 ALDH1A1 874/4885MAPT 1269/4885HPGD 1229/4885
US-20200163946-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 ALDH1A1 3907/4885MAPT 1888/4885HPGD 2034/4885
US-20180296543-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 ALDH1A1 3907/4885MAPT 1888/4885HPGD 2034/4885
US-20210205284-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 ALDH1A1 3907/4885MAPT 1888/4885HPGD 2034/4885
US-10617680-B2 Therapeutic compounds EP300, BRD4, BRD3 ALDH1A1 3907/4885MAPT 1888/4885HPGD 2034/4885
US-11890275-B2 Therapeutic compounds EP300, BRD4, BRD3 ALDH1A1 3907/4885MAPT 1888/4885HPGD 2034/4885

“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.