SCHEMBL22890977

SCHEMBL22890977

CCC(C)OCCN1CCC(O)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2D6 P10635 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 3/20 0.34
MAPT P10636 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ACHE P22303 1/20 0.34
KDM1A O60341 1/20 0.34
SHBG P04278 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
SCHEMBL22890929 0.90 HRH3 (0.41) KCNA3SPHK1MEN1ALDH1A1CYP2D6
SCHEMBL9911412 0.84 KDM1A (0.45) KCNA3SPHK1MEN1ALDH1A1CYP2D6
SCHEMBL13543540 0.81 HRH3 (0.46) HRH3HRH2HRH1
SCHEMBL13542804 0.81 HRH3 (0.46) HRH3HRH2HRH1
SCHEMBL9921287 0.80 ALDH1A1 (0.46) MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL22446626 0.78 ALDH1A1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL9921294 0.78 ALDH1A1 (0.45) MEN1ALDH1A1CYP2D6KMT2AHRH3
SCHEMBL22891062 0.78 SPHK1 (0.40) KCNA3SPHK1MEN1ALDH1A1CYP2D6
SCHEMBL19928688 0.75 ALDH1A1 (0.44) MEN1ALDH1A1KMT2AHRH3
SCHEMBL22890918 0.75 DAO (0.36) ALDH1A1KDM1A

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
EP-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
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 KCNA3 4832/4885SPHK1 1672/4885MEN1 1893/4885
US-11230557-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR KCNA3 4832/4885SPHK1 1672/4885MEN1 1893/4885

“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.