SCHEMBL1328352

SCHEMBL1328352

CCC(C(=O)NC1CCC(C(c2ccccc2)N(C)C)CC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
KCNQ2 O43526 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4A O75164 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2308758 0.90 TSHR (0.47) TSHRSMN1; SMN2
SCHEMBL1326310 0.89 OPRL1 (0.48) SMN1; SMN2ALDH1A1POLBKCNQ2
Hydrochloric Acid SCHEMBL1327186 0.89 TSHR (0.46) TSHRSMN1; SMN2
SCHEMBL13114604 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1POLBCRHBPCRHR2
SCHEMBL1327847 0.83 POLB (0.47) SMN1; SMN2ALDH1A1POLBCRHBPCRHR2
SCHEMBL28810401 0.82 TSHR (0.48) TSHRLMNA
Cyclopentane SCHEMBL2306640 0.81 TSHR (0.50) TSHRSMN1; SMN2LMNA
Cyclohexane SCHEMBL2304945 0.81 TSHR (0.50) TSHRSMN1; SMN2LMNA
SCHEMBL578174 0.80 TSHR (0.59) TSHRSMN1; SMN2LMNA
SCHEMBL493318 0.80 CYP3A4 (0.47) TSHRSMN1; SMN2LMNAL3MBTL1

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 15 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
JP-2009520720-A 2009-05-28 JP claimed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO 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
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP 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
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R TSHR 760/4885SMN1; SMN2 1867/4885ALDH1A1 1333/4885

“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.