SCHEMBL6856773

SCHEMBL6856773

CN(C)Cc1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.53
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
G6PD P11413 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC6A2 P23975 7/20 0.46
SLC6A4 P31645 7/20 0.46
SLC6A3 Q01959 6/20 0.46
ATM Q13315 2/20 0.46

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
SCHEMBL12643383 0.82 RIPK1 (0.53) RIPK1IDO1AGXTKDM4EALDH1A1
SCHEMBL6128132 0.81 KDM4E (0.61) KDM4EALDH1A1L3MBTL1MEN1POLB
SCHEMBL12074780 0.81 SLC6A4 (0.49) KDM4EALDH1A1L3MBTL1MEN1POLB
SCHEMBL27675073 0.80 RIPK1 (0.48) RIPK1IDO1AGXTKDM4EALDH1A1
SCHEMBL321645 0.79 ALDH1A1 (0.54) RIPK1KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL13159521 0.79 ADRA2B (0.44) KDM4EALDH1A1L3MBTL1MEN1POLB
SCHEMBL19445318 0.79 SLC6A4 (0.58) KDM4EALDH1A1L3MBTL1MEN1POLB
SCHEMBL21419342 0.79 PYCR1 (0.63) KDM4EALDH1A1L3MBTL1MEN1POLB
SCHEMBL16370307 0.79 SLC6A2 (0.59) KDM4EALDH1A1L3MBTL1MEN1POLB
SCHEMBL1343896 0.79 SLC6A4 (0.44) KDM4EALDH1A1L3MBTL1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904339-A1 ALKYLAMINOPROLINE DERIVATIVES AS ALFA-2-DELTA-1 BLOCKERS ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-11-03 EP disclosed
WO-2019215426-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 WO disclosed
WO-2019215427-A1 PROCESS FOR FORMING A CARBON-CARBON BOND THE UNIVERSITY OF MANCHESTER (GB) 2019-11-14 WO disclosed
WO-2011016501-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR CANCER 武田薬品工業株式会社 (JP) 2011-02-10 WO disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 US disclosed
EP-0401167-B1 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
US-5075467-A Reacting organotitanium halide with lithium amide CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
EP-0401167-A2 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA-GEIGY AG (CH) 1990-12-05 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 (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-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 RIPK1 1026/4885IDO1 490/4885AGXT 3486/4885

“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.