SCHEMBL22890900

SCHEMBL22890900

CC(C)OCCN1CCCC(CC(C)OCC(O)CO)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.34
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A3 Q01959 4/20 0.34
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSH P09668 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL21661017 0.80 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KDM1ACTSL
SCHEMBL20656041 0.79 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL27055532 0.75 BCHE (0.39) SLC6A2SLC6A4SLC6A3KDM1AKDM4E
SCHEMBL21402585 0.74 CTSK (0.40) CTSLCTSBCTSHCTSK
SCHEMBL24428835 0.74 SMN1; SMN2 (0.48) MAPK1SMN1; SMN2KDM4E
SCHEMBL20656066 0.71 HRH3 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL25804761 0.70 HRH3 (0.36) SLC6A2SLC6A4SLC6A3KDM1AKDM4E
SCHEMBL24925644 0.70 HTR1A (0.43) KDM1A
SCHEMBL24461609 0.69 KDM1A (0.39) SLC6A2SLC6A4SLC6A3KDM1AKDM4E
SCHEMBL27051363 0.69 KDM1A (0.39) SLC6A2SLC6A4SLC6A3KDM1AKDM4E

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 SLC6A2 3857/4885SLC6A4 3003/4885SLC6A3 3731/4885
US-11230557-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR SLC6A2 3857/4885SLC6A4 3003/4885SLC6A3 3731/4885

“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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