SCHEMBL22890944

SCHEMBL22890944

CN1CCN(CCCOC2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.67
▸ HRH3 Q9Y5N1 9/20 0.43
▸ HRH4 Q9H3N8 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PAOX Q6QHF9 1/20 0.36
▸ SIGMAR1 Q99720 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
SCHEMBL22861414 0.81 NPC1 (0.59) NPC1HRH3KCNH2ALDH1A1USP2
SCHEMBL18713115 0.79 NPC1 (0.67) NPC1HRH3DRD3RAB9AALDH1A1
SCHEMBL23870336 0.79 NPC1 (0.41) NPC1HRH3SIGMAR1
Hydrochloric Acid SCHEMBL28373903 0.77 NPC1 (0.55) NPC1HRH3KCNH2SIGMAR1
SCHEMBL25571582 0.77 NPC1 (0.64) NPC1HRH3KCNH2DRD3ALDH1A1
SCHEMBL2146652 0.77 NPC1 (0.39) NPC1HRH3DRD3RAB9AALDH1A1
SCHEMBL2146683 0.77 NPC1 (0.39) NPC1HRH3DRD3RAB9AALDH1A1
SCHEMBL13939521 0.75 NPC1 (0.88) NPC1HRH3KCNH2
SCHEMBL16016535 0.75 NPC1 (0.88) NPC1HRH3KCNH2
SCHEMBL13367 0.74 NPC1 (0.66) NPC1HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 NPC1 1541/4885HRH3 3363/4885HRH4 3245/4885

“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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