SCHEMBL2985266

SCHEMBL2985266

CCC(Oc1ccccc1)C(=O)NC1CCC(Cc2ccccc2F)(N(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2989619 0.89 KMT2A (0.48) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL2984889 0.89 ALDH1A1 (0.47) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL2976840 0.88 TSHR (0.49) KMT2AMEN1TSHRHPGDPOLB
SCHEMBL2977823 0.86 KMT2A (0.47) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL2976658 0.84 MEN1 (0.45) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL2985326 0.80 HPGD (0.50) KMT2AALDH1A1MEN1LMNATSHR
SCHEMBL2987746 0.79 KMT2A (0.46) KMT2AALDH1A1MEN1TSHRHPGD
SCHEMBL2987360 0.77 TSHR (0.50) ALDH1A1TSHRHPGDPOLBHTT
SCHEMBL2981493 0.77 KMT2A (0.37) KMT2AALDH1A1MEN1LMNAHPGD
SCHEMBL2984696 0.77 HPGD (0.46) ALDH1A1LMNATSHRL3MBTL1HPGD

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 KMT2A 3786/4885ALDH1A1 207/4885MEN1 318/4885

“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.