SCHEMBL30720265

SCHEMBL30720265

O=CN1CC2(CC(c3ccc(C(F)(F)F)nc3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
PSEN1 P49768 6/20 0.34
PSEN2 P49810 6/20 0.34
APH1B Q8WW43 6/20 0.34
NCSTN Q92542 6/20 0.34
APH1A Q96BI3 6/20 0.34
PSENEN Q9NZ42 6/20 0.34
DGAT1 O75907 1/20 0.34
KDM1A O60341 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.33
CETP P11597 2/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL30720232 0.83 OPRL1 (0.31) OPRL1
SCHEMBL30720264 0.83 HRH3 (0.43) HDAC4HRH3TRPV4TRPM8DGAT1
SCHEMBL27149307 0.83 HRH3 (0.43) HDAC4HRH3TRPV4TRPM8DGAT1
SCHEMBL27140022 0.82 HDAC4 (0.45) HDAC4HRH3TRPV4TRPM8DGAT1
SCHEMBL27196770 0.81 HRH3 (0.43) HDAC4HRH3TRPV4TRPM8PSEN1
SCHEMBL31307974 0.81 LIPE (0.44)
SCHEMBL31308061 0.80 HTR2C (0.41) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL27196872 0.80 HRH3 (0.42) HDAC4HRH3TRPV4TRPM8PSEN1
SCHEMBL31307978 0.78 LMNA (0.39)
SCHEMBL31308040 0.78 KDM1A (0.39) TRPV4KDM1AMAOAMAOBOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN claimed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 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 (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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 HDAC4 1611/4885HRH3 1117/4885TRPV4 3928/4885

“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.