Sugi Predict

Sugi Predict / Compounds / SCHEMBL393656

SCHEMBL393656

SCHEMBL393656

O=CCC1(CC(=O)NC2CCCCC2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.52
▸ LMNA P02545 1/20 0.49
▸ EPHX1 P07099 6/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL394283 0.81 HSD11B1 (0.58) HSD11B1LMNAEPHX1KMT2AHPGD
SCHEMBL13544562 0.73 HSD11B1 (0.63) HSD11B1LMNAKMT2AHPGDALDH1A1
SCHEMBL13544827 0.72 HSD11B1 (0.61) HSD11B1EPHX1KMT2AHPGDALDH1A1
SCHEMBL6577662 0.72 ALDH1A1 (0.59) HSD11B1LMNAKMT2AHPGDALDH1A1
SCHEMBL7309021 0.71 USP2 (0.38) LMNAALDH1A1SMN1; SMN2
SCHEMBL5076582 0.70 ALDH1A1 (0.55) HSD11B1LMNAKMT2AHPGDALDH1A1
SCHEMBL19287160 0.69 ALDH1A1 (0.67) LMNAEPHX1KMT2AHPGDALDH1A1
SCHEMBL3075216 0.69 EPHX1 (0.68) LMNAEPHX1KMT2AHPGDALDH1A1
SCHEMBL3624059 0.69 HSD11B1 (1.00) HSD11B1EPHX1KMT2ANPC1EPHX2
SCHEMBL14128879 0.69 USP2 (0.34) LMNAALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497287-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2013-07-30 — — US disclosed
US-20130040965-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2013-02-14 — — US disclosed
EP-2231589-B1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2013-02-13 — — EP disclosed
US-8314128-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-11-20 — — US disclosed
US-20120088794-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-04-12 — — US disclosed
US-8101791-B2 Aminotetralin compounds as mu opioid receptor antagonists THERAVANCE, INC. (US) 2012-01-24 — — US disclosed
US-20090149465-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 — — 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 (3 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-20130040965-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 HSD11B1 974/4885LMNA 4631/4885EPHX1 2140/4885
US-20090149465-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 HSD11B1 974/4885LMNA 4631/4885EPHX1 2140/4885
US-20120088794-A1 AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRL1, OPRM1, OPRK1 HSD11B1 974/4885LMNA 4631/4885EPHX1 2140/4885

“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.