SCHEMBL22890929

SCHEMBL22890929

CCC(C)OCCCN1CCC(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
ACHE P22303 1/20 0.41
SPHK1 Q9NYA1 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA3 P22001 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAOB P27338 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL13543540 0.91 HRH3 (0.46) HRH3HRH2HRH1
SCHEMBL13542804 0.91 HRH3 (0.46) HRH3HRH2HRH1
SCHEMBL22890977 0.90 KCNA3 (0.38) HRH3HRH2HRH1ACHESPHK1
SCHEMBL22891062 0.88 SPHK1 (0.40) HRH3HRH2HRH1ACHESPHK1
SCHEMBL22890953 0.85 GNAI3 (0.34) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL21377181 0.85 HRH3 (0.40) HRH3ALDH1A1KCNH2MAOBSIGMAR1
SCHEMBL8501119 0.85 HRH3 (0.43) HRH3HRH2HRH1ACHESPHK1
SCHEMBL21376977 0.83 GLB1 (0.38) HRH3HRH2HRH1SIGMAR1
SCHEMBL22861398 0.82 HTR1A (0.51) HRH3HRH2HRH1ALDH1A1MAOB
SCHEMBL22861349 0.82 MEN1 (0.38) HRH3HRH2HRH1MEN1CYP2D6

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
US-11230557-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-20210008041-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-14 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 (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-20210008041-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR HRH3 3363/4885HRH2 3574/4885HRH1 3452/4885
US-11230557-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR HRH3 3363/4885HRH2 3574/4885HRH1 3452/4885

“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.