SCHEMBL102778

SCHEMBL102778

NC(=O)C1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
GRM4 Q14833 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
LMNA P02545 1/20 0.34
GRM5 P41594 1/20 0.34
MTOR P42345 1/20 0.34
GRM1 Q13255 1/20 0.34
PLCB1 Q9NQ66 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
SCHEMBL4330357 0.86 PLG (0.42) SMN1; SMN2CYP2D6LMNAGAA
SCHEMBL26351384 0.86 GRM2 (0.36) SMN1; SMN2KMT2AKDM4EMAPTATM
SCHEMBL16049158 0.86 GRM2 (0.36) SMN1; SMN2KMT2AKDM4EMAPTATM
SCHEMBL19386548 0.81 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AKDM4EMAPTATM
SCHEMBL17586745 0.81 SMN1; SMN2 (0.37) SMN1; SMN2KMT2AKDM4EMAPTATM
SCHEMBL16237715 0.79 EPHX2 (0.36) TDP1GRM2GRM3GRM4CYP1A2
SCHEMBL3543659 0.77 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AKDM4EMAPTATM
SCHEMBL18691840 0.77 EPHX2 (0.35) TDP1GRM2GRM3GRM4CYP1A2
SCHEMBL18199 0.77 TSHR (0.45) SMN1; SMN2KDM4ETDP1GRM2GRM3
SCHEMBL167272 0.75 EPHX2 (0.34) TDP1GRM2GRM3GRM4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499097-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME IncellDx, Inc. (US) 2025-02-05 EP claimed
WO-2023192360-A1 METHODS OF TREATING A SUBJECT FOR POST-TREATMENT LYME DISEASE (PTLD) AND COMPOSITIONS FOR USE IN THE SAME INCELLDX, INC. (US) 2023-10-05 WO claimed
EP-2867227-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-11-21 EP claimed
EP-2229383-B1 ISOXAZOLO-PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-01-18 EP claimed
US-9487483-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-11-08 US claimed
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US claimed
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2015-11-26 US claimed
US-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-28 US claimed
EP-2867227-A2 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-05-06 EP claimed
EP-2864315-A2 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-HETEROCYCLYL-CARBOXAMIDE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2015-04-29 EP claimed
CN-101287708-A Pyridinaminosulfonyl substituted benzamides as inhibitors of cytochrome p450 3a4 (cyp3a4) PFIZER PROD INC (US) 2008-10-15 CN claimed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO claimed
US-20080146614-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-06-19 US claimed
US-20080139846-A1 New Process 298 ASTRAZENECA AB (SE) 2008-06-12 US claimed
EP-1910304-A2 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-16 EP claimed
WO-2008026986-A1 A PROCESS FOR PRODUCING [(4,4- DIF LUOROCYCLOHEXYL) METHYL] AMINE ASTRAZENECA AB (SE) 2008-03-06 WO claimed
EP-1831177-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2007010222-A2 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 WO claimed
CN-1830445-A Tropane derivatives having therapy using, compounds and polymorph thereof PFIZER (US) 2006-09-13 CN claimed
WO-2006067443-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO claimed

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-20080139846-A1 New Process 298 MRPL21, CDK1, CYP4B1 SMN1; SMN2 2110/4885KMT2A 2413/4885KDM4E 1765/4885
US-20150148349-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF C5, C3AR1, C9 SMN1; SMN2 3448/4885KMT2A 4715/4885KDM4E 4095/4885
US-20150336893-A1 1-[m-Carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide Derivatives CXCR1, CXCR5, CXCR4 SMN1; SMN2 3582/4885KMT2A 1644/4885KDM4E 1869/4885
US-20080146614-A1 Therapeutic Agents BDNF, NLN, GRIN2C SMN1; SMN2 552/4885KMT2A 2456/4885KDM4E 1948/4885

“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.