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Sugi Predict / Compounds / SCHEMBL3562890

SCHEMBL3562890

SCHEMBL3562890

CCCCC1(N(C)C)CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)NCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.54
▸ OGFRL1 Q5TC84 3/20 0.54
▸ OPRL1 P41146 3/20 0.46
▸ KMT2A Q03164 4/20 0.43
▸ TRPA1 O75762 3/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ OPRD1 P41143 3/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
Citric Acid SCHEMBL4438031 0.91 OPRM1 (0.48) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL3564709 0.90 OPRM1 (0.67) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL3566282 0.89 OPRM1 (0.47) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL3559076 0.86 OPRM1 (0.52) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL3564187 0.85 OPRM1 (0.51) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL3568578 0.84 OPRM1 (0.63) OPRM1OGFRL1OPRL1KMT2AKDM4E
SCHEMBL3570170 0.84 OPRM1 (0.52) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL3570168 0.84 OPRM1 (0.52) OPRM1OGFRL1OPRL1KMT2ATRPA1
Citric Acid SCHEMBL4432005 0.81 OPRM1 (0.59) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL2139021 0.80 OPRM1 (0.54) OPRM1OGFRL1OPRL1KMT2ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 — — EP claimed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 — — US claimed
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 — — EP disclosed
EP-2121689-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-07-31 — — EP disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 — — US disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 — — US disclosed
US-8404740-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2013-03-26 — — US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 — — US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 — — US disclosed
US-20100048554-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 — — US disclosed
WO-2008101659-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 — — 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-20100048554-A1 Spirocyclic Cyclohexane Compounds OPRL1, OPRD1, OPRK1 OPRM1 4/4885OGFRL1 5/4885OPRL1 1/4885

“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.