SCHEMBL23489128

SCHEMBL23489128

COC(=O)[C@@H]1C[C@@H](OCCOCc2ccccc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
CTSC P53634 1/20 0.44
EPHX2 P34913 2/20 0.38
CPB1 P15086 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CHEK2 O96017 2/20 0.37
PIM1 P11309 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL20137259 0.99 DRD2 (0.44) DRD2DRD3CTSCEPHX2CPB1
SCHEMBL15099494 0.89 CTSC (0.48) CTSCEPHX2CPB1CYP2C9CYP2C19
SCHEMBL8690915 0.89 CTSC (0.48) CTSCEPHX2CPB1CYP2C9CYP2C19
SCHEMBL8693462 0.89 CTSC (0.48) CTSCEPHX2CPB1CYP2C9CYP2C19
SCHEMBL23462268 0.88 DRD2 (0.41) DRD2DRD3CTSCEPHX2LIPG
Hydrochloric Acid SCHEMBL7323379 0.88 CTSC (0.47) CTSCEPHX2CPB1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3053757 0.88 CTSC (0.47) CTSCEPHX2CPB1CYP2C9CYP2C19
SCHEMBL28901075 0.86 DRD2 (0.41) DRD2DRD3CTSCEPHX2LIPG
SCHEMBL20137269 0.86 DRD2 (0.41) DRD2DRD3CTSCEPHX2LIPG
SCHEMBL23462212 0.84 DRD2 (0.37) DRD2DRD3CTSCEPHX2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240131012-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-25 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11819476-B2 Rapamycin analogs and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
CN-115209897-A Rapamycin analogs and uses thereof 安纳库利亚治疗公司 2022-10-18 CN disclosed
EP-4069223-A1 RAPAMYCIN ANALOGS AND USES THEREOF Anakuria Therapeutics, Inc. (US) 2022-10-12 EP disclosed
US-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 US disclosed
WO-2021113665-A1 RAPAMYCIN ANALOGS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2021-06-10 WO 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 (3 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-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR DRD2 4837/4885DRD3 4611/4885CTSC 805/4885
US-20240131012-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR DRD2 4837/4885DRD3 4611/4885CTSC 805/4885
US-11819476-B2 Rapamycin analogs and uses thereof RICTOR, MTOR, RPTOR DRD2 4849/4885DRD3 4767/4885CTSC 1725/4885

“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.