SCHEMBL22861414

SCHEMBL22861414

C1CCC(OCCCN2CCOCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ EPHX2 P34913 5/20 0.48
▸ HRH3 Q9Y5N1 6/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SCN1A P35498 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SCN2A Q99250 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL9703528 0.89 NPC1 (0.75) NPC1EPHX2EPHX1GAAKEAP1
SCHEMBL18855748 0.87 NPC1 (0.71) NPC1EPHX2EPHX1GAAKEAP1
SCHEMBL22890944 0.81 NPC1 (0.67) NPC1HRH3SMN1; SMN2KCNH2ALDH1A1
SCHEMBL14681493 0.79 KEAP1 (0.44) EPHX2HRH3KEAP1SMN1; SMN2CYP3A4
SCHEMBL6449789 0.78 EPHX2 (0.42) EPHX2HRH3KEAP1SMN1; SMN2ALDH1A1
SCHEMBL5293921 0.77 KEAP1 (0.58) HRH3KEAP1SMN1; SMN2CYP3A4KCNH2
Hydrochloric Acid SCHEMBL28373903 0.76 NPC1 (0.55) NPC1EPHX2HRH3KCNH2SIGMAR1
SCHEMBL13086520 0.74 NPC1 (0.52) NPC1EPHX2HRH3KEAP1SMN1; SMN2
SCHEMBL13939521 0.74 NPC1 (0.88) NPC1HRH3KCNH2CYP1A2
SCHEMBL16016535 0.74 NPC1 (0.88) NPC1HRH3KCNH2CYP1A2

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-11021492-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2021-06-01 — — US disclosed
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-07 — — 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-20210002300-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR NPC1 1541/4885EPHX2 4859/4885HRH3 3363/4885
US-11021492-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR NPC1 1541/4885EPHX2 4859/4885HRH3 3363/4885

“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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