SCHEMBL7038656

SCHEMBL7038656

N#CCCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
DAO P14920 1/20 0.50
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
CETP P11597 5/20 0.46
CNR1 P21554 1/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
FFAR1 O14842 1/20 0.42
MAPK14 Q16539 1/20 0.41
DRD4 P21917 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL5537495 0.84 CHRM2 (0.55) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL102840 0.83 CETP (0.48) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL4714751 0.80 PDE4A (0.46) MEN1KMT2ADAOPDE4APDE4B
SCHEMBL2095982 0.78 CHRM2 (0.55) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL1047406 0.78 CHRM2 (0.58) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL3119286 0.78 CHRM2 (0.55) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2090888 0.78 CHRM2 (0.58) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2090884 0.78 CHRM2 (0.55) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL1095907 0.78 TAAR1 (0.61) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL1047407 0.78 CYP4F2 (0.56) CHRM2CHRM1CHRM3DAOCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462506-A Long-chain ketonitrile compound and preparation method and application thereof 华东理工大学 2025-02-18 CN disclosed
CN-115636743-A Preparation method of phenylacetic acid compound 上海历赢生物科技有限公司 2023-01-24 CN disclosed
EP-2343298-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
CN-101663262-A N- (3-benzyl) -2, 2- (diphenyl) -propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL MYERS SQUIBB CO 2010-03-03 CN disclosed
US-20030236276-A1 Pyrrolo[2.1-a]isoquinoline derivatives NIEWOHNER ULRICH (DE) 2003-12-25 US disclosed
WO-2003014116-A1 PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES BAYER CORPORATION (US) 2003-02-20 WO 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 (1 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-20030236276-A1 Pyrrolo[2.1-a]isoquinoline derivatives PDE5A, PDE2A, PDE3A MEN1 2332/4885KMT2A 2561/4885CHRM2 3249/4885

“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.