SCHEMBL2379623

SCHEMBL2379623

CN(C)C1(c2ccccn2)CCC(CC(=O)NCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.55
▸ ACHE P22303 4/20 0.55
▸ OPRM1 P35372 2/20 0.50
▸ OPRL1 P41146 2/20 0.50
▸ AANAT Q16613 1/20 0.48
▸ MTNR1A P48039 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46

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 SCHEMBL2380275 0.99 BCHE (0.54) BCHEACHEOPRM1OPRL1AANAT
SCHEMBL2379029 0.86 OPRL1 (0.67) BCHEACHEOPRM1OPRL1AANAT
Hydrochloric Acid SCHEMBL302553 0.85 OPRL1 (0.68) BCHEACHEOPRM1OPRL1AANAT
SCHEMBL2378445 0.83 OPRL1 (0.58) BCHEACHEOPRM1OPRL1AANAT
Hydrochloric Acid SCHEMBL2380103 0.82 OPRL1 (0.58) BCHEACHEOPRM1OPRL1AANAT
SCHEMBL5197985 0.82 OPRL1 (0.73) BCHEOPRM1OPRL1MEN1KMT2A
Hydrochloric Acid SCHEMBL5197976 0.82 OPRL1 (0.73) BCHEOPRM1OPRL1MEN1KMT2A
SCHEMBL2379196 0.81 OPRL1 (0.62) BCHEACHEOPRM1OPRL1MTNR1A
SCHEMBL2379116 0.81 MAPT (0.60) BCHEACHEOPRM1OPRL1MAPT
SCHEMBL2379673 0.81 MEN1 (0.47) OPRM1OPRL1AANATMTNR1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 — — US claimed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 — — EP claimed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 — — US claimed
US-8017630-B2 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2011-09-13 — — US disclosed
EP-1751093-B1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES GRUENENTHAL GMBH (DE) 2010-10-06 — — EP disclosed
US-20070129347-A1 Cyclohexylacetic acid compounds GRUENENTHAL GMBH (DE) 2007-06-07 — — US disclosed
EP-1751093-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID DERIVATIVES Grünenthal GmbH (DE) 2007-02-14 — — EP disclosed
WO-2005110976-A1 SUBSTITUTED CYCLOHEXYLACETIC ACID 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 (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-20070129347-A1 Cyclohexylacetic acid compounds ACACA, HCAR2, PCCA BCHE 806/4885ACHE 2142/4885OPRM1 3702/4885

“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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