SCHEMBL25178686

SCHEMBL25178686

[CH2]Cc1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 2/20 0.40
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
SCN3A Q9NY46 2/20 0.40
SCN1A P35498 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
RORC P51449 1/20 0.39
KMO O15229 2/20 0.39
PGK1 P00558 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL3754799 0.86 EPHX1 (0.44) RORCPGK1
SCHEMBL10582291 0.84 TTR (0.45) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL4493894 0.82 IDO1 (0.52) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL169779 0.82 PGK1 (0.44) SLC1A5HCRTR1HCRTR2RORCPGK1
SCHEMBL101152 0.82 MEN1 (0.41) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL3083420 0.82 NPC1 (0.48) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL3118077 0.82 CSNK2A1 (0.56) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL25182236 0.80 EPHX2 (0.50) HCRTR1HCRTR2
SCHEMBL12093360 0.79 HCRTR1 (0.43) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL18249186 0.79 TAAR1 (0.55) HCRTR1HCRTR2

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
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS SLC1A5 1976/4885HCRTR1 4185/4885HCRTR2 4324/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS SLC1A5 1402/4885HCRTR1 3208/4885HCRTR2 3422/4885

“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.