SCHEMBL31464802

SCHEMBL31464802

CC1(C)OB(c2ccc(CN3CCC(F)(F)CC3)cc2F)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
BRD4 O60885 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
CHKA P35790 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GRM2 Q14416 1/20 0.34
LTA4H P09960 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL31464775 0.89 ALDH1A1 (0.40) ALDH1A1HTTCHKAKDM4ELTA4H
SCHEMBL31464828 0.88 ALDH1A1 (0.55) ALDH1A1HTTHRH3CHKAKDM4E
SCHEMBL30316025 0.87 ALDH1A1 (0.57) ALDH1A1HTTHRH3CHKAKDM4E
SCHEMBL18953692 0.87 ALDH1A1 (0.37) ALDH1A1HTTCHKAKDM4E
SCHEMBL19211664 0.86 ALDH1A1 (0.45) ALDH1A1HTTHRH3CHKAKDM4E
SCHEMBL31533274 0.86 HRH3 (0.45) ALDH1A1HTTHRH3BRD4KDM4E
SCHEMBL31464835 0.86 CHKA (0.50) ALDH1A1HTTCHKA
SCHEMBL538831 0.86 HRH3 (0.45) ALDH1A1HTTHRH3BRD4KDM4E
SCHEMBL31464575 0.82 PKM (0.47) ALDH1A1HTTCHKA
SCHEMBL31464669 0.82 ALDH1A1 (0.40) ALDH1A1HTTCHKAKDM4EHSD17B10

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
WO-2025064853-A1 RIPK3 INHIBITORS AND METHODS OF USE Momentum Therapeutics, Inc. (US) 2025-03-27 WO disclosed
US-20250092031-A1 RIPK3 INHIBITORS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2025-03-20 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-20250092031-A1 RIPK3 INHIBITORS AND METHODS OF USE RIPK3, RIPK1, RIPK2 ALDH1A1 4773/4885HTT 2254/4885SIGMAR1 3566/4885

“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.