SCHEMBL9891789

SCHEMBL9891789

CC(C)C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
POLB P06746 1/20 0.61
NAMPT P43490 1/20 0.60
ALDH1A1 P00352 3/20 0.59
USP2 O75604 2/20 0.59
TSHR P16473 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 5/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
AKR1C3 P42330 1/20 0.56
HTT P42858 1/20 0.55

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
Piperazine SCHEMBL28323312 0.92 MAPK1 (0.55) MAPK1POLBNAMPTALDH1A1USP2
SCHEMBL11833579 0.86 MAPK1 (0.59) MAPK1POLBALDH1A1USP2TSHR
SCHEMBL16357643 0.85 MAPK1 (0.57) MAPK1POLBALDH1A1USP2TSHR
Hydrochloric Acid SCHEMBL6913635 0.85 MAPK1 (0.57) MAPK1POLBALDH1A1USP2TSHR
Hydrochloric Acid SCHEMBL7632441 0.85 MAPK1 (0.57) MAPK1POLBALDH1A1USP2TSHR
SCHEMBL14586642 0.84 POLB (0.59) POLBNAMPTALDH1A1TSHRMEN1
SCHEMBL12155872 0.84 MAPT (0.59) POLBNAMPTALDH1A1MEN1KMT2A
SCHEMBL14037733 0.83 NAMPT (0.64) MAPK1POLBNAMPTALDH1A1USP2
SCHEMBL16435180 0.83 NAMPT (0.64) MAPK1POLBNAMPTALDH1A1USP2
SCHEMBL23544884 0.83 PANK3 (0.57) MAPK1POLBNAMPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110114051-B Antimicrobial compositions 联合利华知识产权控股有限公司 2022-04-08 CN claimed
EP-3500234-B1 AN ANTIMICROBIAL COMPOSITION UNILEVER NV (NL) 2020-12-16 EP claimed
US-10617621-B2 Antimicrobial composition CONOPCO, INC. (US) 2020-04-14 US claimed
CN-110114051-A Antimicrobial compositions 荷兰联合利华有限公司 2019-08-09 CN claimed
US-20190201312-A1 ANTIMICROBIAL COMPOSITION CONOPCO, INC., D/B/A UNILEVER (US) 2019-07-04 US claimed
EP-3500234-A1 AN ANTIMICROBIAL COMPOSITION Unilever N.V. (NL) 2019-06-26 EP claimed
WO-2018033466-A1 AN ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2018-02-22 WO claimed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-7521544-B2 Method and apparatus for the use of [11C] carbon monoxide in labeling synthesis by photo-initiated carbonylation GE HEALTHCARE LIMITED (GB) 2009-04-21 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. 2008-10-09 US disclosed
US-7354919-B2 Isoxazole compositions useful as inhibitors of ERK VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-08 US disclosed
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof CAO JINGRONG 2007-11-15 US disclosed
US-7253187-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-07 US disclosed
US-20070043213-A1 Method and apparatus for the use of [11c] carbon monoxide in labeling synthesis by photo-intiated carbonylation GE HEALTHCARE LIMITED (GB) 2007-02-22 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 (9 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-20070043213-A1 Method and apparatus for the use of [11c] carbon monoxide in labeling synthesis by photo-intiated carbonylation PPOX, HCCS, CPS1 MAPK1 4399/4885POLB 608/4885NAMPT 1354/4885
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A MAPK1 1902/4885POLB 635/4885NAMPT 1185/4885
US-20070265263-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAPKAPK2 MAPK1 1/4885POLB 3197/4885NAMPT 1451/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK MAPK1 281/4885POLB 1934/4885NAMPT 1681/4885
US-20190201312-A1 ANTIMICROBIAL COMPOSITION LPO, POLR1C, GPX4 MAPK1 3948/4885POLB 365/4885NAMPT 989/4885
US-10617621-B2 Antimicrobial composition LPO, POLR1C, GPX4 MAPK1 3948/4885POLB 365/4885NAMPT 989/4885
US-20080249081-A1 COMPOUNDS FOR THE TREATMENT OF PAIN AND SCREENING METHODS THEREFOR MRGPRX2, MRGPRX4, MRGPRX1 MAPK1 2601/4885POLB 4342/4885NAMPT 1739/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK MAPK1 281/4885POLB 1934/4885NAMPT 1681/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS MAPK1 477/4885POLB 3534/4885NAMPT 2637/4885

“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.