Sugi Predict

Sugi Predict / Compounds / SCHEMBL484380

SCHEMBL484380

SCHEMBL484380

O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(C(=O)c3ccc(F)cc3F)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.40
▸ EPHX2 P34913 1/20 0.37
▸ SLC9A1 P19634 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ TSHR P16473 4/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ USP2 O75604 2/20 0.35

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
SCHEMBL485749 0.95 HSD11B1 (0.43) HSD11B1EPHX2SLC9A1TSHRCYP2D6
SCHEMBL484408 0.89 EPHX2 (0.39) EPHX2TSHRMAPK1CYP3A4CYP1A2
SCHEMBL484483 0.89 CACNA1B (0.41) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL484397 0.89 CYP2D6 (0.39) TSHRCYP2D6MGLLRECQLALDH1A1
SCHEMBL485288 0.88 CYP2D6 (0.40) TSHRCYP2D6RECQLALDH1A1MAPK1
SCHEMBL2816549 0.87 CYP2D6 (0.39) TSHRCYP2D6RECQLALDH1A1MAPK1
SCHEMBL486049 0.87 HSD11B1 (0.39) HSD11B1EPHX2TRPM8
SCHEMBL2818607 0.86 NAMPT (0.42) HSD11B1L3MBTL1NAMPT
SCHEMBL484872 0.86 CYP2D6 (0.39) EPHX2TSHRCYP2D6RECQLALDH1A1
SCHEMBL484273 0.86 HSD11B1 (0.44) HSD11B1EPHX2TSHRCYP2D6MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — WO claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 — — EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 — — 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885EPHX2 905/4885SLC9A1 172/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885EPHX2 905/4885SLC9A1 172/4885

“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.