SCHEMBL12791451

SCHEMBL12791451

COC(=O)N1CCC(c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.62
▸ NPC1 O15118 10/20 0.62
▸ SMN1; SMN2 Q16637 8/20 0.62
▸ TP53 P04637 4/20 0.62
▸ ALDH1A1 P00352 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 7/20 0.56
▸ PDE4B Q07343 3/20 0.56
▸ PDE4A P27815 1/20 0.56
▸ PDE4C Q08493 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ HPGD P15428 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ NFKB2 Q00653 2/20 0.56
▸ RELA Q04206 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ STAT1 P42224 1/20 0.55

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
SCHEMBL19493611 1.00 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL31073550 0.90 KCNH2 (0.56) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL10264950 0.87 MEN1 (0.60) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL5548168 0.85 PDE4B (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL15301071 0.85 PDE4B (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL23951735 0.84 TP53 (0.59) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL697513 0.84 TP53 (0.59) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1751432 0.84 TP53 (0.59) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1546194 0.83 PDE4B (0.56) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL27725187 0.83 ALDH1A1 (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 — — US disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 — — US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 — — US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 — — 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 RAB9A 258/4885NPC1 1212/4885SMN1; SMN2 3574/4885
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 RAB9A 3469/4885NPC1 222/4885SMN1; SMN2 3868/4885

“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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