SCHEMBL18226089

SCHEMBL18226089

O=C(O)NCCN1CCC(F)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 2/20 0.39
CYP1A2 P05177 2/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC6A4 P31645 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CCR5 P51681 1/20 0.34

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
SCHEMBL22729342 1.00 POLR1A (0.39) POLR1ACYP1A2KCNH2SLC6A2SLC6A3
SCHEMBL18225540 0.87 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL167120 0.84 HRH2 (0.41) KCNH2SLC6A2SLC6A3HTTCA12
SCHEMBL167158 0.84 HRH2 (0.41) KCNH2SLC6A2SLC6A3HTTCA12
SCHEMBL167121 0.84 HRH2 (0.41) KCNH2SLC6A2SLC6A3HTTCA12
SCHEMBL24269614 0.84 NPSR1 (0.41) POLR1ACYP1A2KCNH2HTT
SCHEMBL18226717 0.82 BDKRB1 (0.46) CYP1A2HTTL3MBTL1
SCHEMBL167048 0.82 PDCD1 (0.40) SLC6A2SLC6A3HTTCA12CA1
SCHEMBL166996 0.82 PDCD1 (0.40) SLC6A2SLC6A3HTTCA12CA1
SCHEMBL166995 0.82 PDCD1 (0.40) SLC6A2SLC6A3HTTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999728-B2 Estrogen receptor modulators RECURIUM IP HOLDINGS, LLC (US) 2024-06-04 US disclosed
EP-4267578-A1 ESTROGEN RECEPTOR MODULATORS Recurium IP Holdings, LLC (US) 2023-11-01 EP disclosed
WO-2022140744-A1 ESTROGEN RECEPTOR MODULATORS RECURIUM IP HOLDINGS, LLC (US) 2022-06-30 WO disclosed
US-11339162-B1 Estrogen receptor modulators RECURIUM IP HOLDINGS, LLC (US) 2022-05-24 US disclosed
EP-3861000-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE Genzyme Corporation (US) 2021-08-11 EP disclosed
WO-2020072504-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION (US) 2020-04-09 WO disclosed
US-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION 2020-04-02 US disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
EP-3294732-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Gilead Sciences, Inc. (US) 2018-03-21 EP disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 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 (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-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE MAN2B1, GAA, GBA1 POLR1A 1817/4885CYP1A2 1844/4885KCNH2 3510/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT POLR1A 1141/4885CYP1A2 162/4885KCNH2 3760/4885
US-11339162-B1 Estrogen receptor modulators ESR2, GPER1, ESRRA POLR1A 1432/4885CYP1A2 270/4885KCNH2 4433/4885
US-11999728-B2 Estrogen receptor modulators ESR2, GPER1, ESRRA POLR1A 1432/4885CYP1A2 270/4885KCNH2 4433/4885

“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.