SCHEMBL19971630

SCHEMBL19971630

O=C(O)C1CC2(CCN2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.50
▸ APLNR P35414 1/20 0.46
▸ CYP1A2 P05177 3/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 3/20 0.41
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ GABRA4 P48169 2/20 0.41
▸ GABRE P78334 2/20 0.41
▸ GABRA6 Q16445 2/20 0.41

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
SCHEMBL30104750 0.89 CYP2C19 (0.44) CYP2C19APLNRCYP1A2ALOX15KDM4E
Trifluoroacetic Acid SCHEMBL18302881 0.88 CYP2C19 (0.40) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL15618894 0.85 TSHR (0.47) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL19815193 0.81 TSHR (0.42) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL29584487 0.80 TSHR (0.46) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL15232691 0.79 TSHR (0.50) CYP2C19APLNRCYP1A2ALOX15TSHR
SCHEMBL29585583 0.77 TSHR (0.43) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL19814952 0.76 TSHR (0.41) CYP2C19APLNRCYP1A2ALOX15TSHR
SCHEMBL9715688 0.76 TSHR (0.43) CYP2C19APLNRCYP1A2ALOX15KDM4E
SCHEMBL1665499 0.76 TSHR (0.43) CYP2C19APLNRCYP1A2ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025010392-A2 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PSY THERAPEUTICS, INC. (US) 2025-01-09 — — WO disclosed
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-25 — — US disclosed
WO-2023151473-A1 KHK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海研健新药研发有限公司 2023-08-17 — — WO 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 (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-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP CYP2C19 446/4885APLNR 830/4885CYP1A2 740/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP CYP2C19 446/4885APLNR 830/4885CYP1A2 740/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP CYP2C19 446/4885APLNR 830/4885CYP1A2 740/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP CYP2C19 446/4885APLNR 830/4885CYP1A2 740/4885
US-20240246964-A1 SUBSTITUTED 1-ARYL-1’-HETEROARYL COMPOUNDS, SUBSTITUTED 1,1’-BIHETEROARYL COMPOUNDS, AND METHODS USING SAME HAVCR2, HDGF, HCCS CYP2C19 118/4885APLNR 4639/4885CYP1A2 142/4885

“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.

Send feedback