SCHEMBL3601663

SCHEMBL3601663

COC(=O)[C@]1(COCc2ccccc2)CCCN1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
OPRM1 P35372 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15007994 1.00 TACR1 (0.44) TACR1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL19627472 1.00 TACR1 (0.44) TACR1SLC6A2SLC6A4SLC6A3HRH3
Hydrochloric Acid SCHEMBL28273269 0.99 TACR1 (0.43) TACR1SLC6A2SLC6A4SLC6A3HRH3
Hydrochloric Acid SCHEMBL28271740 0.99 TACR1 (0.43) TACR1SLC6A2SLC6A4SLC6A3HRH3
Hydrochloric Acid SCHEMBL28519089 0.99 TACR1 (0.43) TACR1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL11953966 0.95 TACR1 (0.46) TACR1DDB1CRBNOPRM1MAPT
SCHEMBL26694866 0.89 OPRM1 (0.45) TACR1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL15026540 0.88 TACR1 (0.47) TACR1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL706214 0.88 TACR1 (0.47) TACR1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL15012678 0.87 ALDH1A1 (0.42) TACR1SLC6A2SLC6A4SLC6A3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025083472-A2 PROTAC COMPOUNDS BINDING KEAP1 UBIQUITIN LIGASE FOR TARGETED PROTEIN DEGRADATION SEED THERAPEUTICS US, INC. (US) 2025-04-24 WO disclosed
WO-2025085815-A1 PROTAC COMPOUNDS BINDING KEAP1 UBIQUITIN LIGASE FOR TARGETED PROTEIN DEGRADATION SEED THERAPEUTICS US, INC. (US) 2025-04-24 WO disclosed
EP-4384522-A1 SELECTIVE KRAS INHIBITORS Erasca, Inc. (US) 2024-06-19 EP disclosed
WO-2023018699-A1 SELECTIVE KRAS INHIBITORS ERASCA, INC. (US) 2023-02-16 WO disclosed
WO-2023018699-A1 SELECTIVE KRAS INHIBITORS ERASCA, INC. (US) 2023-02-16 WO disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
EP-2788349-A1 KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-10-15 EP disclosed
WO-2013083604-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 WO disclosed
WO-2013083604-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 WO disclosed
US-20130150343-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 US disclosed
US-20130150343-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 US disclosed
US-20130150343-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 US disclosed
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 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 (4 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 TACR1 494/4885SLC6A2 2569/4885SLC6A4 620/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TACR1 107/4885SLC6A2 525/4885SLC6A4 218/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 TACR1 107/4885SLC6A2 525/4885SLC6A4 218/4885
US-20130150343-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 TACR1 1218/4885SLC6A2 4330/4885SLC6A4 4610/4885

“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.