SCHEMBL7002048

SCHEMBL7002048

O=C(O)[C@@H]1C[C@H]1c1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.46
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
SLC9A1 P19634 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
HDAC4 P56524 1/20 0.38
IDO1 P14902 1/20 0.37
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL10288354 1.00 FFAR1 (0.46) FFAR1CYP4F2CYP4A11SLC9A1GPR88
SCHEMBL10253910 1.00 FFAR1 (0.46) FFAR1CYP4F2CYP4A11SLC9A1GPR88
SCHEMBL24737993 0.88 GRM4 (0.47) FFAR1CYP4F2CYP4A11SLC9A1
SCHEMBL28000853 0.86 SLC9A1 (0.41) SLC9A1GPR88HDAC4ENPP2ATXN2
SCHEMBL19146658 0.82 SLC9A1 (0.39) SLC9A1GPR88HDAC4ENPP2ATXN2
SCHEMBL18631695 0.82 FFAR1 (0.49) FFAR1GPR88HDAC4ALDH1A1
SCHEMBL4134145 0.82 FFAR1 (0.49) FFAR1GPR88HDAC4ALDH1A1
SCHEMBL3028218 0.82 FFAR1 (0.49) FFAR1GPR88HDAC4ALDH1A1
SCHEMBL14549996 0.82 FFAR1 (0.49) FFAR1GPR88HDAC4ALDH1A1
SCHEMBL5679362 0.82 FFAR1 (0.49) FFAR1GPR88HDAC4ALDH1A1

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-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 US disclosed
EP-3404021-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2018-11-21 EP disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
EP-0996621-B1 TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-10-01 EP disclosed
US-6251910-B1 1,2,3-triazolo[4,5-d]pyrimidines as P2T receptor antagonists ASTRAZENECA UK LIMITED (GB) 2001-06-26 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 (6 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H FFAR1 1470/4885CYP4F2 3310/4885CYP4A11 2932/4885
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 FFAR1 1364/4885CYP4F2 3171/4885CYP4A11 3675/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 FFAR1 1571/4885CYP4F2 2291/4885CYP4A11 3142/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A FFAR1 872/4885CYP4F2 349/4885CYP4A11 356/4885
US-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E FFAR1 2912/4885CYP4F2 585/4885CYP4A11 1630/4885
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E FFAR1 2372/4885CYP4F2 636/4885CYP4A11 1536/4885

“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.