SCHEMBL2379673

SCHEMBL2379673

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ 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
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTGS2 P35354 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ AANAT Q16613 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRL1 P41146 1/20 0.44
▸ MTNR1A P48039 3/20 0.43
▸ SIRT1 Q96EB6 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 SCHEMBL2380052 0.99 MEN1 (0.47) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL2378459 0.86 OPRL1 (0.59) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL2379182 0.83 SIRT1 (0.53) MEN1KMT2ALMNACYP1A2PKM
Hydrochloric Acid SCHEMBL2380775 0.82 SIRT1 (0.52) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL2379296 0.81 OPRL1 (0.55) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL2378734 0.81 MAPT (0.55) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL2379623 0.81 BCHE (0.55) MEN1KMT2ALMNACYP1A2PKM
Hydrochloric Acid SCHEMBL2379642 0.80 OPRL1 (0.55) MEN1KMT2ALMNACYP1A2PKM
SCHEMBL2379415 0.80 OPRL1 (0.54) MEN1KMT2ALMNACYP1A2PKM
Hydrochloric Acid SCHEMBL303144 0.80 MAPT (0.55) MEN1KMT2ALMNACYP1A2PKM

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 6 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

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 MEN1 2416/4885KMT2A 2621/4885LMNA 2083/4885

“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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