SCHEMBL1328153

SCHEMBL1328153

CN(C)C(c1cccs1)C1CCC(CNC(=O)Cc2cccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 7/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 2/20 0.40
CASP6 P55212 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL1327211 0.87 POLB (0.49) POLBALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL2309785 0.86 HPGD (0.49) POLBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL2305785 0.86 POLB (0.49) POLBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL1327714 0.85 MEN1 (0.41) HSD17B10HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL1327170 0.83 RAB9A (0.49) POLBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL4679769 0.82 POLB (0.67) POLBHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL1328117 0.80 BCHE (0.43) TSHRMEN1KMT2AGAAGFER
SCHEMBL1328432 0.79 CCNA2 (0.43) POLBALDH1A1RAB9AMEN1KMT2A
SCHEMBL1327413 0.78 SMN1; SMN2 (0.41) POLBHPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL1327892 0.78 KDM4E (0.46) POLBHPGDALDH1A1RAB9AMEN1

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-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
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

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 POLB 3017/4885HSD17B10 1389/4885HPGD 718/4885

“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.