SCHEMBL9844447

SCHEMBL9844447

O=C(O)c1cc(F)cc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
KEAP1 Q14145 2/20 0.44
CYP3A4 P08684 1/20 0.44
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
NOTUM Q6P988 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CLCN2 P51788 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
FABP3 P05413 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
SCHEMBL8103503 0.83 CES2 (0.39) TSHRKEAP1CYP3A4ALDH1A1CASP1
SCHEMBL27964513 0.83 KEAP1 (0.44) TSHRKEAP1NFE2L2ALDH1A1TP53
SCHEMBL8574493 0.81 PARP1 (0.43) ALDH1A1CASP1CES2CES1CA1
SCHEMBL10437029 0.81 CES2 (0.38) TSHRSMN1; SMN2CES2CES1CLCN2
SCHEMBL6241684 0.81 AKR1C2 (0.64) KEAP1NFE2L2ALDH1A1TP53AKR1C4
SCHEMBL21250750 0.80 NOTUM (0.40) TSHRKEAP1CYP3A4NFE2L2ALDH1A1
SCHEMBL24898803 0.79 KEAP1 (0.41) TSHRKEAP1CYP3A4NFE2L2ALDH1A1
SCHEMBL27980487 0.79 ALDH1A1 (0.44) TSHRKEAP1CYP3A4NFE2L2ALDH1A1
SCHEMBL2062742 0.79 KEAP1 (0.50) TSHRKEAP1CYP3A4NFE2L2ALDH1A1
SCHEMBL31055678 0.79 KEAP1 (0.41) TSHRKEAP1CYP3A4NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190307766-A1 CYCLIC AMINES MINDIMMUNE THERAPEUTICS, INC. 2019-10-10 US disclosed
EP-3536689-A1 2-(CYCLIC AMINEETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MindImmune Therapeutics, Inc. (US) 2019-09-11 EP disclosed
EP-2906549-B1 N-(2-(CYCLIC AMINE)ETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS MINDIMMUNE THERAPEUTICS INC (US) 2019-04-17 EP disclosed
US-10124010-B2 Cyclic amines MINDIMMUNE THERAPEUTICS, INC. (US) 2018-11-13 US disclosed
US-20180177793-A1 CYCLIC AMINES MINDIMMUNE THERAPEUTICS, INC. 2018-06-28 US disclosed
US-9861639-B2 Cyclic amines H. LUNDBECK A/S (DK) 2018-01-09 US disclosed
US-20170128460-A1 Cyclic Amines H. LUNDBECK A/S (DK) 2017-05-11 US disclosed
US-9593105-B2 Cyclic amines H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20170008898-A1 Cyclic Amines H. LUNDBECK A/S (DK) 2017-01-12 US disclosed
US-9415055-B2 Cyclic amines H. LUNDBECK A/S (DK) 2016-08-16 US disclosed
US-20150306114-A1 Cyclic Amines MINDIMMUNE THERAPEUTICS, INC. 2015-10-29 US disclosed
EP-2906549-A2 CYCLIC AMINES H. Lundbeck A/S (DK) 2015-08-19 EP disclosed
US-9108938-B2 Cyclic amines H. LUNDBECK A/S (DK) 2015-08-18 US disclosed
US-20140107335-A1 Cyclic Amines H. LUNDBECK A/S (DK) 2014-04-17 US disclosed
WO-2014057080-A2 CYCLIC AMINES H. LUNDBECK A/S (DK) 2014-04-17 WO disclosed
EP-0431373-A2 Processes for producing 5-fluorbenzoic acids and their intermediates ASAHI GLASS COMPANY LTD. (JP) 1991-06-12 EP disclosed
EP-0303291-A2 Fluorinated benzoyl compounds ASAHI GLASS COMPANY LTD. (JP) 1989-02-15 EP disclosed
EP-0274033-A1 Process for the preparation of quinolinecarboxylic acids BAYER AG (DE) 1988-07-13 EP 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 (7 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-20170008898-A1 Cyclic Amines P2RX7, ADORA2A, P2RX2 TSHR 664/4885KEAP1 1572/4885CYP3A4 1619/4885
US-20150306114-A1 Cyclic Amines P2RX7, ADORA2A, P2RX2 TSHR 664/4885KEAP1 1572/4885CYP3A4 1619/4885
US-20190307766-A1 CYCLIC AMINES P2RX7, ADORA2A, P2RX2 TSHR 664/4885KEAP1 1572/4885CYP3A4 1619/4885
US-20140107335-A1 Cyclic Amines P2RX7, ADORA2A, P2RX2 TSHR 664/4885KEAP1 1572/4885CYP3A4 1619/4885
US-10124010-B2 Cyclic amines P2RX7, ADORA2A, P2RX2 TSHR 664/4885KEAP1 1572/4885CYP3A4 1619/4885
US-20180177793-A1 CYCLIC AMINES P2RX7, ADORA2A, P2RX2 TSHR 664/4885KEAP1 1572/4885CYP3A4 1619/4885
US-20170128460-A1 Cyclic Amines P2RX7, ADORA2A, P2RX2 TSHR 664/4885KEAP1 1572/4885CYP3A4 1619/4885

“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.