SCHEMBL442253

SCHEMBL442253

COC(=O)[C@H]1CC[C@H](C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PPM1B O75688 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PPP1CC P36873 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL442252 1.00 TP53 (0.43) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL22280725 1.00 TP53 (0.43) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL31503632 0.88 CHRNB2 (0.40) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL244740 0.82 — —
SCHEMBL2200767 0.82 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2948892 0.82 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL74396 0.82 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1147796 0.81 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL21380100 0.81 CHRNB2 (0.48) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL850608 0.81 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081995-A1 MALT1 MODULATORS AND USES THEREOF RHEOS MEDICINES, INC. (US) 2022-04-21 — — WO disclosed
CN-113943259-A Amino acid derivative, preparation method and application thereof 西安禾渼生物医药有限公司 2022-01-18 — — CN disclosed
US-11192877-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2021-12-07 — — US disclosed
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2021-05-20 — — US disclosed
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2021-01-05 — — US disclosed
EP-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 — — EP disclosed
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-10-15 — — US disclosed
US-20190263795-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2019-08-29 — — US disclosed
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2019-07-02 — — US disclosed
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 — — EP disclosed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 — — US disclosed
JP-2006076931-A METHOD FOR PRODUCING HIGH PURITY METHYL TRANS-4-CYANOCYCLOHEXANE-1-CARBOXYLATE ASAHI KASEI FAINKEMU KK 2006-03-23 — — JP disclosed
JP-2006076931-A METHOD FOR PRODUCING HIGH PURITY METHYL TRANS-4-CYANOCYCLOHEXANE-1-CARBOXYLATE ASAHI KASEI FAINKEMU KK 2006-03-23 — — JP disclosed
US-6723848-B2 TETRAHYDROBENZOFURAN OR TETRAHYDROBENZOTHIOPHEN OR TETRAHDYROBENZOPYRROLE COMPOUNDS CAN BE AROMATIZED WITH A HYDROGENATION CATALYST IN PRESENCE OF A HYDROGEN ACCEPTOR, DEACYLATION OF AMINO GROUP BY ADDITION OF AN AMINE GROUP MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-04-20 — — US disclosed
US-6689885-B2 REACTING AMINOBENZOTHIOPHENE-3-CARBOXYLIC ESTER COMPOUND WITH NITRILE COMPOUND IN SOLUTION OR SUSPENSION IN A SOLVENT IN THE PRESENCE OF AN ACID TO OBTAIN THIENOPYRIMIDINE COMPOUND MERCK PATENT GMBH (DE) 2004-02-10 — — US disclosed
US-20030096994-A1 Method for producing thienopyrimidines MERCK PATENT GMBH (DE) 2003-05-22 — — US disclosed
US-20030078422-A1 Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2003-04-24 — — US disclosed
US-4389329-A Meterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1983-06-21 — — US disclosed
US-4273929-A Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1981-06-16 — — US disclosed
US-3950405-A ANTIPLASMIN AGENTS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-04-13 — — 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-20190263795-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F9, F10 TP53 3657/4885SMN1; SMN2 4340/4885CHRNB2 4876/4885
US-10882855-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 TP53 3657/4885SMN1; SMN2 4340/4885CHRNB2 4876/4885
US-20030096994-A1 Method for producing thienopyrimidines NUDT1, TYMP, TPMT TP53 760/4885SMN1; SMN2 485/4885CHRNB2 4143/4885
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes IDH3A, IDH2, IDH3B TP53 6/4885SMN1; SMN2 3984/4885CHRNB2 4769/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 TP53 467/4885SMN1; SMN2 4488/4885CHRNB2 4883/4885
US-10336741-B2 Substituted pyrrolidines as factor XIa inhibitors for the treatment thromboembolic diseases F11, F9, F10 TP53 3657/4885SMN1; SMN2 4340/4885CHRNB2 4876/4885
US-20210147403-A1 SUBSTITUTED PYRROLIDINES AS FACTOR XIA INHIBITORS FOR THE TREATMENT THROMBOEMBOLIC DISEASES F11, F10, F9 TP53 3838/4885SMN1; SMN2 4358/4885CHRNB2 4883/4885
US-11192877-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof XDH, HTR1D, RXFP1 TP53 4076/4885SMN1; SMN2 1091/4885CHRNB2 777/4885
US-20030078422-A1 Method for producing benzo annelated heterocycles NAT1, AFF1, SAT1 TP53 3739/4885SMN1; SMN2 3091/4885CHRNB2 1925/4885

“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.

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