SCHEMBL765009

SCHEMBL765009

Cc1ccc(F)c(OCC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.43
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
RIPK1 Q13546 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
FFAR1 O14842 1/20 0.40
EGFR P00533 2/20 0.39
FGFR1 P11362 2/20 0.39
FLT1 P17948 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
DCPS Q96C86 1/20 0.38
DUT P33316 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
SCHEMBL24153920 0.93 SCN9A (0.43) GRM2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL20376236 0.93 GRM2 (0.45) GRM2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL765039 0.92 SCN9A (0.44) GRM2SLC6A4
SCHEMBL20201895 0.89 SLC6A2 (0.53) HTR1ASLC6A2SLC6A4SLC6A3EGFR
SCHEMBL20206745 0.89 GRM2 (0.47) GRM2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11962822 0.86 HTR2A (0.43) HTR1ASLC6A2SLC6A4RIPK1HTR2A
SCHEMBL20204766 0.85 SLC6A4 (0.43) HTR1ASLC6A2SLC6A4SLC6A3FFAR1
SCHEMBL18374090 0.85 HCRTR2 (0.39) GRM2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL20204779 0.84 MAPT (0.40) GRM2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL18376335 0.83 SCN9A (0.46) HTR1ASLC6A2SLC6A4SLC6A3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021263205-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-12-30 WO disclosed
EP-3089964-B1 HETEROATOM-CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIV SOUTHERN CALIFORNIA (US) 2021-02-24 EP disclosed
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2017006282-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2017-01-12 WO disclosed
WO-2017006271-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CONTAINING AMINO SULFONYL LINKAGE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-01-12 WO disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (5 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-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 GRM2 4828/4885HTR1A 414/4885SLC6A2 3056/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GRM2 4883/4885HTR1A 1552/4885SLC6A2 4533/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GRM2 4883/4885HTR1A 1552/4885SLC6A2 4533/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GRM2 4883/4885HTR1A 1552/4885SLC6A2 4533/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GRM2 4883/4885HTR1A 1552/4885SLC6A2 4533/4885

“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.