SCHEMBL4055242

SCHEMBL4055242

CN(C)C1(Cc2ccccc2)CCC(C(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 6/20 0.50
▸ OPRM1 P35372 5/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ TSHR P16473 1/20 0.46
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL4048457 0.87 SMN1; SMN2 (0.41) OPRL1OPRM1OPRK1TSHRSMN1; SMN2
SCHEMBL5572918 0.86 ATM (0.43) OPRL1OPRM1OPRK1SMN1; SMN2ALDH1A1
SCHEMBL4047848 0.86 GAA (0.45) OPRL1OPRM1CYP2C19GAAALDH1A1
SCHEMBL4046256 0.86 ALDH1A1 (0.44) OPRL1OPRM1OPRK1TSHRCYP2C19
SCHEMBL5572217 0.85 SSTR4 (0.45) OPRL1OPRM1POLBNPC1
SCHEMBL5290991 0.84 KMT2A (0.43) OPRL1OPRM1ALDH1A1MAOAMAOB
SCHEMBL4046960 0.84 SSTR1 (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5572637 0.82 ALDH1A1 (0.43) OPRM1OPRK1TSHRALDH1A1KDM4E
SCHEMBL4867855 0.82 LMNA (0.48) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL4052578 0.81 ALDH1A1 (0.38) CYP2C19ALDH1A1KDM4EMAOB

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 — — EP claimed
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 — — EP claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 — — EP claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 — — US claimed
JP-2007536323-A — — 2007-12-13 — — JP claimed
JP-2007536321-A — — 2007-12-13 — — JP claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 — — US claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 — — US claimed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 — — US claimed
EP-1745009-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 — — EP claimed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 — — EP claimed
WO-2005110971-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 — — WO claimed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 — — WO claimed
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 — — EP disclosed
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 — — EP disclosed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 — — EP disclosed
EP-1745009-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 — — EP disclosed
WO-2005110970-A1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 — — WO disclosed
WO-2005110971-A1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 — — WO disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 — — 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 (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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD OPRL1 2751/4885OPRM1 3175/4885OPRK1 1202/4885
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 OPRL1 2457/4885OPRM1 2315/4885OPRK1 860/4885
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC OPRL1 782/4885OPRM1 743/4885OPRK1 225/4885

“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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