SCHEMBL29525564

SCHEMBL29525564

O=C(O)C12CC(c3cccc(C(F)(F)F)c3)(C1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.47
▸ KDM1A O60341 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HCAR3 P49019 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ CES2 O00748 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ OPRM1 P35372 2/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42

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
SCHEMBL29525428 0.80 APP (0.44) KDM1ARAB9ACES2AKR1C3AKR1C2
SCHEMBL696251 0.78 AKR1C3 (0.67) CCR2KDM1AMEN1MAPTHTT
SCHEMBL31687612 0.77 CCR2 (0.46) CCR2KDM1AMEN1MAPTHTT
SCHEMBL22369879 0.77 KDM1A (0.56) CCR2KDM1AOPRL1SLC6A4
SCHEMBL23381190 0.76 KMT2A (0.47) CCR2MEN1HTTRAB9AKMT2A
Hydrochloric Acid SCHEMBL20564061 0.76 KDM1A (0.54) CCR2KDM1AOPRL1SLC6A4
SCHEMBL23380255 0.76 AKR1C1 (0.34) MEN1HTTKMT2A
SCHEMBL17467926 0.75 AKR1C1 (0.47) MEN1HTTKMT2AOPRM1OPRL1
SCHEMBL3116411 0.75 AKR1C3 (0.60) CCR2KDM1AAKR1C3AKR1C2OPRM1
SCHEMBL8747120 0.75 AKR1C3 (0.60) CCR2KDM1AAKR1C3AKR1C2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094259-B Analgesic compounds 里科瑞尔姆IP控股有限责任公司 2023-08-11 — — CN disclosed
US-11242327-B2 Analgesic compounds RECURIUM IP HOLDINGS, LLC (US) 2022-02-08 — — 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-11242327-B2 Analgesic compounds INA, IK, ACHE CCR2 894/4885KDM1A 3473/4885MEN1 4009/4885

“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.

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