SCHEMBL1163992

SCHEMBL1163992

O=C(O)[C@@H]1CC[C@@H]1C(=O)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.56
▸ HSD11B1 P28845 1/20 0.47
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.43
▸ TFPI2 P48307 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL1163991 1.00 HPGD (0.56) HPGDHSD11B1CTSBCTSSCTSK
SCHEMBL16424491 0.98 HPGD (0.52) HPGDHSD11B1CTSBCTSSCTSK
SCHEMBL18485325 0.94 HPGD (0.54) HPGDHSD11B1CTSBCTSSCTSK
SCHEMBL699775 0.94 HPGD (0.54) HPGDHSD11B1CTSBCTSSCTSK
SCHEMBL6898895 0.83 HPGD (0.56) HPGDHSD11B1CTSBCTSSCTSK
SCHEMBL3458439 0.82 HPGD (0.61) HPGDHSD11B1ALDH1A1TSHRTFPI2
SCHEMBL5605774 0.79 PPP5C (0.53) HSD11B1CTSBCTSSCTSKALDH1A1
SCHEMBL18485328 0.79 HPGD (0.69) HPGDHSD11B1ALDH1A1TSHRTFPI2
SCHEMBL16424010 0.79 ALDH1A1 (0.45) HPGDALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL18485326 0.78 HPGD (0.61) HPGDHSD11B1ALDH1A1TSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 — — US disclosed
WO-2011018495-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 — — 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 (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-20110212960-A1 NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDER BDNF, PSEN1, CHRNA5 HPGD 1088/4885HSD11B1 1939/4885CTSB 2634/4885

“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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