SCHEMBL19971674

SCHEMBL19971674

CCOC(=O)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.53
USP30 Q70CQ3 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
CCR8 P51685 1/20 0.49
KDM4E B2RXH2 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
FUCA1 P04066 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL8922062 1.00 ALDH1A1 (0.55) ALDH1A1L3MBTL1ATMUSP30SIGMAR1
SCHEMBL18517409 1.00 ALDH1A1 (0.55) ALDH1A1L3MBTL1ATMUSP30SIGMAR1
SCHEMBL7322807 0.86 ALDH1A1 (0.56) ALDH1A1L3MBTL1ATMUSP30SIGMAR1
SCHEMBL853539 0.85 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30SIGMAR1
SCHEMBL1055082 0.85 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30SIGMAR1
SCHEMBL13177349 0.85 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30SIGMAR1
SCHEMBL853540 0.85 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30SIGMAR1
SCHEMBL14037432 0.85 USP30 (0.62) ALDH1A1L3MBTL1ATMUSP30SIGMAR1
SCHEMBL1872029 0.85 L3MBTL1 (0.65) ALDH1A1L3MBTL1ATMCCR8KDM4E
SCHEMBL457893 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1ATMUSP30SIGMAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558492-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 Therapeutics, Inc. (US) 2025-05-28 EP disclosed
CN-119654315-A 3- (6-Pyridin-3-yl) -2- [4- (4-methyl-4H-1, 2, 4-triazol-3-yl) piperidin-1-yl ] benzonitrile derivatives and similar compounds as QPCTL and QPCT inhibitors for the treatment of cancer 858治疗公司 2025-03-18 CN disclosed
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 US disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2022-07-14 US disclosed
EP-3980425-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS InnoPharm (Shanghai) Ltd. (CN) 2022-04-13 EP disclosed
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-28 US disclosed
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-01-24 US disclosed
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-08-23 US disclosed
US-9944613-B2 Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-04-17 US disclosed
US-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2018-03-22 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 (6 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-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP ALDH1A1 402/4885L3MBTL1 4631/4885ATM 2011/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP ALDH1A1 402/4885L3MBTL1 4631/4885ATM 2011/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP ALDH1A1 402/4885L3MBTL1 4631/4885ATM 2011/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP ALDH1A1 402/4885L3MBTL1 4631/4885ATM 2011/4885
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT ALDH1A1 1661/4885L3MBTL1 1107/4885ATM 2157/4885
US-20220220128-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF RET, BRAF, ROR1 ALDH1A1 2804/4885L3MBTL1 2668/4885ATM 1527/4885

“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.