SCHEMBL4686451

SCHEMBL4686451

O=C(O)N1C2CCCC1CNC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.34
TSHR P16473 2/20 0.34
SLC6A11 P48066 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
HTR6 P50406 1/20 0.33
CHRNB2 P17787 4/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRNA7 P36544 3/20 0.32
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL21808534 0.91 CHRNB2 (0.34) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL3174694 0.91 CHRNB2 (0.34) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL1404442 0.91 CHRNB2 (0.34) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6336086 0.88 CHRNB2 (0.33) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL16178433 0.88 CHRNB2 (0.33) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL931097 0.83 RECQL (0.33) LMNAALDH1A1GLAHPGD
SCHEMBL23406750 0.81 CHRNB2 (0.34) TSHRLMNACHRNB2CHRNB4CHRNA3
SCHEMBL22799163 0.81 CHRNB2 (0.34) TSHRLMNACHRNB2CHRNB4CHRNA3
SCHEMBL27139 0.80 RECQL (0.32) LMNAALDH1A1
SCHEMBL30686962 0.78 SLC6A1 (0.39) SLC6A1TSHRSLC6A11LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 US disclosed
EP-4476221-A1 FUSED PYRIMIDINES AS KRAS INHIBITORS Bayer Aktiengesellschaft (DE) 2024-12-18 EP disclosed
WO-2024238793-A1 FUSED TRIAZINONES FOR USE IN THE TREATMENT OF CANCER RGENTA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
WO-2024215862-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-10-17 WO disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-09-21 US disclosed
WO-2023152255-A1 FUSED PYRIMIDINES AS KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 WO disclosed
WO-2023056951-A1 ARYL-SUBSTITUTED HETEROCYCLIC COMPOUND 杭州德睿智药科技有限公司 2023-04-13 WO disclosed
US-20220402908-A1 CXCR6 INHIBITORS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute 2022-12-22 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
EP-1984366-A1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-10-29 EP disclosed
WO-2007090887-A1 3, 9-DIAZABICYCLO [3.3. 1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-16 WO 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 (8 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SLC6A1 4827/4885TSHR 4359/4885SLC6A11 4836/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS SLC6A1 4827/4885TSHR 4359/4885SLC6A11 4836/4885
US-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 SLC6A1 3651/4885TSHR 846/4885SLC6A11 3754/4885
US-20230295123-A1 NOVEL IMIDAZOLE-PYRAZOLE DERIVATIVES CYP3A7, NISCH, ARG1 SLC6A1 2272/4885TSHR 659/4885SLC6A11 1785/4885
US-20220402908-A1 CXCR6 INHIBITORS AND METHODS OF USE CXCR6, CXCR1, CXCR5 SLC6A1 2507/4885TSHR 1567/4885SLC6A11 2678/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SLC6A1 4827/4885TSHR 4359/4885SLC6A11 4836/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS SLC6A1 4827/4885TSHR 4359/4885SLC6A11 4836/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS SLC6A1 4827/4885TSHR 4359/4885SLC6A11 4836/4885

“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.