SCHEMBL2989322

SCHEMBL2989322

CC(Oc1ccccc1)C(=O)NC1CCC(Cc2cccc(F)c2)(N(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.44
SIGMAR1 Q99720 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2985406 0.90 TSHR (0.54) TSHRMAPTHPGDSMN1; SMN2HTT
SCHEMBL2990248 0.89 TSHR (0.49) MEN1KMT2AATMTSHRMAPT
SCHEMBL2976658 0.89 MEN1 (0.45) MEN1KMT2AATMTSHRMAPT
SCHEMBL2984800 0.89 ALDH1A1 (0.48) TSHRMAPTSIGMAR1
SCHEMBL2985723 0.87 POLB (0.40) MEN1KMT2ATSHRSIGMAR1DRD2
SCHEMBL2982852 0.84 TSHR (0.50) MEN1KMT2ATSHRMAPTHPGD
SCHEMBL2976914 0.83 TSHR (0.49) TSHRMAPTHPGDHTT
SCHEMBL2976840 0.83 TSHR (0.49) MEN1KMT2AATMTSHRMAPT
SCHEMBL2987754 0.83 POLB (0.50) MEN1KMT2ASIGMAR1HPGDSMN1; SMN2
SCHEMBL5162561 0.82 ALDH1A1 (0.40) KMT2AMAPTSIGMAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 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-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 MEN1 318/4885KMT2A 3786/4885ATM 4573/4885

“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.