SCHEMBL654452

SCHEMBL654452

CC1CN(Cc2ccccc2)CC(C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.53
ACHE P22303 1/20 0.53
GAA P10253 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR5 Q9H228 1/20 0.50
MC4R P32245 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TACR1 P25103 1/20 0.45
GBA1 P04062 1/20 0.45

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
SCHEMBL12533691 1.00 FUCA1 (0.53) FUCA1ACHEGAASIGMAR1S1PR1
SCHEMBL1920327 1.00 FUCA1 (0.53) FUCA1ACHEGAASIGMAR1S1PR1
Ammonia Solution, Strong SCHEMBL15155211 0.98 FUCA1 (0.51) FUCA1ACHEGAASIGMAR1S1PR1
SCHEMBL16915885 0.86 S1PR5 (0.52) FUCA1ACHEGAAS1PR1S1PR5
SCHEMBL2962712 0.82 FUCA1 (0.58) FUCA1ACHEGAASIGMAR1S1PR1
SCHEMBL29203229 0.82 ACHE (0.43) FUCA1ACHES1PR1S1PR5
SCHEMBL30881352 0.82 ACHE (0.43) FUCA1ACHES1PR1S1PR5
SCHEMBL9379752 0.82 ACHE (0.50) FUCA1ACHEGAASIGMAR1S1PR1
SCHEMBL10394770 0.81 CHRM2 (0.45) FUCA1ACHES1PR1S1PR5
SCHEMBL14538783 0.80 DRD2 (0.49) FUCA1ACHEGAAS1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
CN-117510465-A 5, 6-diphenyl pyrazine-2-piperidine compound and preparation method and application thereof 四川轻化工大学 2024-02-06 CN disclosed
EP-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
EP-3694331-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
WO-2019074810-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2002-11-14 US disclosed
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment WOCKHARDT RESEARCH CENTER 2002-11-07 US disclosed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 WO disclosed
WO-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 WO disclosed
US-6166209-A Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2000-12-26 US disclosed
EP-1037892-A1 PIPERIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2000-09-27 EP disclosed
WO-1999029696-A1 PIPERIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-06-17 WO disclosed
EP-0106276-B1 1,4-DIHYDROPYRIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1988-10-26 EP disclosed
US-4639522-A HYPOTENSIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1987-01-27 US disclosed
EP-0106276-A2 1,4-Dihydropyridine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-04-25 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 (5 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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 FUCA1 4675/4885ACHE 623/4885GAA 4411/4885
US-20020169155-A1 A nitrogen-ring containing triheterocyclic compound is useful for treating a disease associated with aberrant leukocyte recruitment and/or activation NFATC1, ELANE, NCF1 FUCA1 1434/4885ACHE 3529/4885GAA 2525/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 FUCA1 4675/4885ACHE 623/4885GAA 4411/4885
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA FUCA1 1632/4885ACHE 2706/4885GAA 1934/4885
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment ALPI, POLR1C, POLI FUCA1 1778/4885ACHE 2557/4885GAA 341/4885

“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.