SCHEMBL3845102

SCHEMBL3845102

CC(C)(C)OC(=O)N1CCN(c2ccc(F)c(C#N)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.54
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PDK2 Q15119 1/20 0.51
GPR119 Q8TDV5 9/20 0.50
RET P07949 2/20 0.50
EGLN2 Q96KS0 1/20 0.48
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 1/20 0.46
ALK Q9UM73 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
SCHEMBL24989032 0.91 GPR119 (0.56) CHRM4ALDH1A1LMNAMAPTPDK2
SCHEMBL6269762 0.91 GPR119 (0.57) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL31474292 0.91 GPR119 (0.57) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL24216718 0.88 MAPT (0.52) CHRM4ALDH1A1LMNAMAPTPDK2
SCHEMBL15938198 0.86 MAPT (0.55) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL30126546 0.86 MAPT (0.55) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL31342407 0.86 MAPT (0.53) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL20159003 0.85 MAPT (0.59) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL24990173 0.84 MAPT (0.53) ALDH1A1LMNAMAPTPDK2GPR119
SCHEMBL24990143 0.84 GPR119 (0.67) ALDH1A1LMNAMAPTPDK2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114674-A1 ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2023-04-13 US disclosed
EP-4095132-A1 ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Kangpu Biopharmaceuticals, Ltd. (CN) 2022-11-30 EP disclosed
WO-2021147889-A1 ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 康朴生物医药技术(上海)有限公司 2021-07-29 WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 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 (1 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-20230114674-A1 ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF CRBN, CREBBP, CDR2 CHRM4 3413/4885ALDH1A1 3179/4885LMNA 1175/4885

“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.