SCHEMBL2597560

SCHEMBL2597560

CC(C)(C)NC(=O)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
PMP22 Q01453 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
GNAI3 P08754 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
Hydrochloric Acid SCHEMBL23539307 0.98 GNAI3 (0.47) POLBGABRPGABRDGABRA1TSHR
SCHEMBL2146650 0.88 L3MBTL1 (0.42) POLBGABRPGABRDGABRA1TSHR
SCHEMBL2146657 0.88 L3MBTL1 (0.42) POLBGABRPGABRDGABRA1TSHR
Hydrochloric Acid SCHEMBL2146143 0.86 L3MBTL1 (0.41) POLBGABRPGABRDGABRA1TSHR
Hydrochloric Acid SCHEMBL2146149 0.86 L3MBTL1 (0.41) POLBGABRPGABRDGABRA1TSHR
SCHEMBL103478 0.84 POLB (0.47) POLBKMT2AL3MBTL1LMNAALDH1A1
SCHEMBL1974762 0.81 GNAI3 (0.44) POLBGABRPGABRDGABRA1TSHR
SCHEMBL12057437 0.80 SMN1; SMN2 (0.50) POLBKMT2AL3MBTL1LMNAALDH1A1
SCHEMBL2757927 0.80 SMN1; SMN2 (0.55) POLBKMT2AL3MBTL1LMNAALDH1A1
SCHEMBL17541870 0.79 POLB (0.48) POLBGABRPGABRDGABRA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-20230364277-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2023-11-16 US disclosed
US-11780873-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2023-10-10 US disclosed
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 US disclosed
US-11548908-B2 Heterobifunctional inhibitors of E-selectin and galectin-3 GLYCOMIMETICS, INC. (US) 2023-01-10 US disclosed
WO-2022129951-A1 PHARMACEUTICAL COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 WO disclosed
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 US disclosed
US-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2021-10-21 US disclosed
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof BIOIMICS AB (SE) 2021-09-28 US disclosed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 WO disclosed
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
US-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-08 US disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
EP-2049111-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-22 EP disclosed
WO-2008013925-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 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 (13 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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP POLB 4177/4885GABRP 1129/4885GABRD 1877/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 POLB 4201/4885GABRP 2965/4885GABRD 2904/4885
US-20210323990-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG POLB 3988/4885GABRP 837/4885GABRD 962/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 POLB 4466/4885GABRP 3003/4885GABRD 2240/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 POLB 4520/4885GABRP 3240/4885GABRD 3515/4885
US-20230364277-A1 E-SELECTIN TARGETING AGENTS SELE, SELPLG, SELP POLB 4584/4885GABRP 2403/4885GABRD 3832/4885
US-11130741-B2 Anti-infective heterocyclic compounds and uses thereof ELANE, MPO, NISCH POLB 1296/4885GABRP 3270/4885GABRD 2811/4885
US-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 POLB 3375/4885GABRP 396/4885GABRD 804/4885
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES NOX1, QSOX1, XDH POLB 3325/4885GABRP 4077/4885GABRD 4175/4885
US-11780873-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG POLB 4162/4885GABRP 1001/4885GABRD 1326/4885
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNK3 POLB 4225/4885GABRP 1053/4885GABRD 1126/4885
US-11548908-B2 Heterobifunctional inhibitors of E-selectin and galectin-3 LGALS3, LGALS3BP, LGALS1 POLB 4604/4885GABRP 1596/4885GABRD 3432/4885
US-20230365609-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG POLB 3988/4885GABRP 837/4885GABRD 962/4885

“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.