SCHEMBL172240

SCHEMBL172240

Cc1cccc(F)c1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
CXCR5 P32302 5/20 0.43
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
PKM P14618 1/20 0.37
EED O75530 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
SCN4A P35499 3/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL170907 0.87 GABRA1 (0.43) ACHECXCR5GABRA1GABRB2KDM4E
SCHEMBL8387578 0.84 GABRA1 (0.44) ACHECXCR5GABRA1GABRB2ALDH1A1
SCHEMBL23912965 0.84 ACHE (0.41) ACHECXCR5PKMEEDKDM4E
SCHEMBL24122316 0.83 ACHE (0.44) ACHECXCR5PKMEEDKDM4E
SCHEMBL25483059 0.81 ACHE (0.39) ACHECXCR5PKMEEDKDM4E
SCHEMBL21612989 0.80 ACHE (0.41) ACHECXCR5PKMEEDKDM4E
SCHEMBL23841325 0.78 GABRA1 (0.45) CXCR5GABRA1GABRB2KDM4EALDH1A1
SCHEMBL14484993 0.78 GABRA1 (0.50) GABRA1GABRB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6883141 0.78 TAAR1 (0.55) PKMKDM4EALDH1A1SMN1; SMN2TAAR1
SCHEMBL3953513 0.78 EED (0.40) GABRA1GABRB2EEDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 EP disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20230061608-A1 SUBSTITUTED QUINOLINONYL PIPERAZINE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-03-02 US disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 US disclosed
WO-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 WO disclosed
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2020-04-09 US disclosed
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed
US-9960294-B2 Highly fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2018-05-01 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
US-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-9023865-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-01-22 US disclosed
US-20140296203-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 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 (11 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-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA ACHE 3884/4885CXCR5 533/4885GABRA1 273/4885
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG ACHE 3866/4885CXCR5 1072/4885GABRA1 3876/4885
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA ACHE 1047/4885CXCR5 230/4885GABRA1 1169/4885
US-20140296203-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 ACHE 4359/4885CXCR5 4271/4885GABRA1 3777/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 ACHE 4359/4885CXCR5 4271/4885GABRA1 3777/4885
US-20230061608-A1 SUBSTITUTED QUINOLINONYL PIPERAZINE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG ACHE 3911/4885CXCR5 615/4885GABRA1 3663/4885
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG ACHE 3866/4885CXCR5 1072/4885GABRA1 3876/4885
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 ACHE 1032/4885CXCR5 2968/4885GABRA1 329/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 ACHE 1032/4885CXCR5 2968/4885GABRA1 329/4885
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG ACHE 3866/4885CXCR5 1072/4885GABRA1 3876/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 ACHE 3648/4885CXCR5 3871/4885GABRA1 3586/4885

“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.