SCHEMBL14905957

SCHEMBL14905957

CCCCC(=O)N1CCC(CN)(CCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.56
▸ SIGMAR1 Q99720 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ AR P10275 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FKBP1A P62942 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL14902500 0.93 NPC1 (0.58) NPC1SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL14905956 0.88 NPC1 (0.54) NPC1SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL14932739 0.87 NPC1 (0.53) NPC1SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL14902533 0.87 NPC1 (0.53) NPC1SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL14902494 0.84 NPC1 (0.54) NPC1SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL28089189 0.82 NPC1 (0.52) NPC1SIGMAR1ALDH1A1TDP1MEN1
SCHEMBL14902534 0.82 NPC1 (0.51) NPC1SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL14902498 0.82 NPC1 (0.51) NPC1SIGMAR1ALDH1A1TDP1MEN1
SCHEMBL14902532 0.82 NPC1 (0.51) NPC1SIGMAR1ALDH1A1TDP1MEN1
SCHEMBL14902486 0.81 NPC1 (0.51) NPC1SIGMAR1ALDH1A1TDP1MEN1

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-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — 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-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 NPC1 976/4885SIGMAR1 2217/4885ALDH1A1 1056/4885

“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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