SCHEMBL18840586

SCHEMBL18840586

CC1(C)OB(c2ccc(Br)cn2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.34
LIPG Q9Y5X9 8/20 0.34
GBA1 P04062 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
P2RX7 Q99572 1/20 0.31
PLAU P00749 1/20 0.31
RAB9A P51151 1/20 0.30
FFAR1 O14842 1/20 0.30
DGAT1 O75907 2/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL2262065 0.79 CCR1 (0.40) LPLLIPGADRA2AADRA2BADRA2C
SCHEMBL111285 0.78 LPL (0.49) LPLLIPGP2RX7FFAR1DGAT1
SCHEMBL9940819 0.78 LPL (0.34) LPLLIPGP2RX7FFAR1DGAT1
SCHEMBL25243329 0.78 PTK2 (0.36) LPLLIPGADRA2AADRA2BADRA2C
SCHEMBL9940656 0.78 LPL (0.34) LPLLIPGADRA2AADRA2BADRA2C
SCHEMBL21484364 0.77 LPL (0.40) LPLLIPGFFAR1DGAT1
SCHEMBL23170259 0.75 LPL (0.45) LPLLIPGKDM4ERAB9ADGAT1
SCHEMBL14718821 0.75 SNCA (0.39) LPLLIPGKDM4ERAB9ADGAT1
SCHEMBL14235345 0.74 ALDH1A1 (0.39) LPLLIPGALDH1A1KDM4EDGAT1
SCHEMBL14235124 0.74 LIPE (0.42) LPLLIPGALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4458820-A1 CLASS OF QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2024-11-06 EP disclosed
WO-2023125716-A1 CLASS OF QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed
CN-116354934-A Quinoline compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-06-30 CN disclosed
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2017-05-11 US disclosed
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2017-05-11 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 (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-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 LPL 618/4885LIPG 3138/4885GBA1 336/4885

“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.