SCHEMBL1991683

SCHEMBL1991683

c1ncn(C2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
MAP4K3 Q8IVH8 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP3A5 P20815 2/20 0.33
CYP3A7 P24462 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDK4 Q16654 2/20 0.33
CYP3A43 Q9HB55 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
Hydrochloric Acid SCHEMBL2897085 0.98 MEN1 (0.37) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL9551487 0.88 CHRNB2 (0.33) MEN1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL21840076 0.86 CHRNB2 (0.32) MEN1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL21840097 0.86 CHRNB2 (0.32) MEN1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL8131721 0.86 CHRNB2 (0.32) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL14717289 0.84
Tert-Butyl Formate SCHEMBL27628241 0.82 TDP1 (0.36) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL9551441 0.78
Hydrochloric Acid SCHEMBL8435089 0.77 ACHE (0.33) EPHX2ACHE
Hydrochloric Acid SCHEMBL9293337 0.76 HTR6 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12617774-B2 Substituted indole compounds and methods of use thereof NOVARTIS AG (CH) 2026-05-05 US disclosed
EP-4714446-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2026-03-25 EP disclosed
US-20250289804-A1 SUBSTITUTED INDOLE COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS PHARMA AG (CH) 2025-09-18 US disclosed
US-12145929-B2 Piperidine derivative and pharmaceutical composition for inhibiting autotaxin comprising same NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-11-19 US disclosed
US-20240287034-A1 SUBSTITUTED INDOLE COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS PHARMA AG (CH) 2024-08-29 US disclosed
US-20240279216-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME NEXTGEN BIOSCIENCE CO., LTD. (KR) 2024-08-22 US disclosed
EP-4413985-A2 PHARMACEUTICAL COMPOUNDS Nxera Pharma UK Limited (GB) 2024-08-14 EP disclosed
CN-117396471-A Novel piperidine derivatives and pharmaceutical compositions for inhibiting autotaxin comprising the same 株式会社次代生物科学 2024-01-12 CN disclosed
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-7553841-B2 Amino cyclobutylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-06-30 US disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
US-7491737-B2 Heterarylpiperidine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-02-17 US disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
CN-100384856-C Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO INC (US) 2008-04-30 CN disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
CN-1805965-A Modulators of chemokine receptor activity MERCK & CO INC (US) 2006-07-19 CN disclosed
CN-1787818-A Amino cyclobutylamide modulators of chemokine receptor activity MERCK & CO INC (US) 2006-06-14 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 (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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 MEN1 856/4885ALDH1A1 539/4885MAPT 3645/4885
US-20240287034-A1 SUBSTITUTED INDOLE COMPOUNDS AND METHODS OF USE THEREOF CFB, MAOB, CFH MEN1 617/4885ALDH1A1 2138/4885MAPT 3938/4885
US-20240279216-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME ENPP2, UACA, ITCH MEN1 3029/4885ALDH1A1 3067/4885MAPT 1677/4885
US-20250289804-A1 SUBSTITUTED INDOLE COMPOUNDS AND METHODS OF USE THEREOF CFB, MAOB, CFH MEN1 617/4885ALDH1A1 2138/4885MAPT 3938/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 MEN1 3879/4885ALDH1A1 2646/4885MAPT 4627/4885
US-12617774-B2 Substituted indole compounds and methods of use thereof CFB, CFD, TFPI MEN1 1031/4885ALDH1A1 3209/4885MAPT 2722/4885
US-12145929-B2 Piperidine derivative and pharmaceutical composition for inhibiting autotaxin comprising same ENPP2, UACA, ACAT2 MEN1 3252/4885ALDH1A1 2751/4885MAPT 1471/4885

“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.