SCHEMBL1760004

SCHEMBL1760004

N#CC1(c2ccc(F)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
HDAC6 Q9UBN7 1/20 0.36
CSF1R P07333 1/20 0.34
GRM5 P41594 1/20 0.33
FGFR1 P11362 3/20 0.32
FGFR4 P22455 3/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KCNH2 Q12809 1/20 0.32
SMO Q99835 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL17713182 0.93 FFAR4 (0.39) FFAR4HDAC6GRM5FGFR1FGFR4
SCHEMBL23008877 0.93 FFAR4 (0.39) FFAR4HDAC6FGFR1FGFR4FGFR2
SCHEMBL20066130 0.88 FFAR4 (0.38) FFAR4HDAC6CSF1RALDH1A1KCNH2
SCHEMBL20073971 0.87 MAP3K12 (0.39) FFAR4HDAC6ALDH1A1KCNH2OPRM1
SCHEMBL11920960 0.87 FFAR4 (0.39) FFAR4HDAC6CSF1RFGFR1FGFR4
SCHEMBL20074533 0.86 FFAR4 (0.36) FFAR4HDAC6FGFR1FGFR4FGFR2
SCHEMBL11920963 0.83 FFAR4 (0.35) FFAR4HDAC6FGFR1FGFR4FGFR2
SCHEMBL3011859 0.80 ALDH1A1 (0.37) FFAR4ALDH1A1KCNH2
SCHEMBL3011853 0.80 ALDH1A1 (0.37) FFAR4ALDH1A1KCNH2
SCHEMBL3011860 0.80 ALDH1A1 (0.37) FFAR4ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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 (2 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-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA FFAR4 103/4885HDAC6 733/4885CSF1R 359/4885
US-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R FFAR4 241/4885HDAC6 1206/4885CSF1R 401/4885

“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.