SCHEMBL1326525

SCHEMBL1326525

CN(C)C(c1ccccc1)C1CCC(NC(=O)Nc2cccc3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.60
▸ KDM4E B2RXH2 8/20 0.54
▸ SIGMAR1 Q99720 1/20 0.53
▸ DPP4 P27487 4/20 0.52
▸ PREP P48147 4/20 0.52
▸ DPP7 Q9UHL4 4/20 0.52
▸ MAPT P10636 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ ALPL P05186 1/20 0.48
▸ ALPG P10696 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ HPGD P15428 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.45
▸ PAK1 Q13153 1/20 0.43
▸ HTT P42858 1/20 0.43

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
Hydrochloric Acid SCHEMBL1326699 0.82 EPHX1 (0.55) EPHX1MAPTALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1326848 0.80 KMT2A (0.53) MAPTGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL1327327 0.79 EPHX1 (0.58) EPHX1GAAALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1326683 0.78 NPC1 (0.57) GAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1328072 0.78 EPHX1 (0.54) EPHX1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1327839 0.77 EPHX1 (0.59) EPHX1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL28810401 0.77 TSHR (0.48) EPHX1KMT2ARAB9AHPGD
SCHEMBL8295882 0.77 DPP4 (0.59) EPHX1KDM4ESIGMAR1DPP4PREP
SCHEMBL2751717 0.77 EPHX1 (0.97) EPHX1KDM4ESIGMAR1GAAALDH1A1
Hydrochloric Acid SCHEMBL1328262 0.77 RAB9A (0.44) EPHX1MAPTGAAALDH1A1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 — — CN claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 — — EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 — — US claimed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 — — CN claimed
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 — — CN disclosed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 — — US disclosed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 — — CN 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R EPHX1 1526/4885KDM4E 940/4885SIGMAR1 174/4885

“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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