SCHEMBL2977823

SCHEMBL2977823

CCC(Oc1ccccc1)C(=O)NC1CCC(Cc2ccc(F)cc2)(N(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
GHSR Q92847 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2976658 0.90 MEN1 (0.45) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL2990248 0.88 TSHR (0.49) KMT2AALDH1A1MEN1TSHRMAPT
SCHEMBL2985266 0.86 KMT2A (0.47) KMT2AALDH1A1MEN1TSHRLMNA
SCHEMBL2989619 0.83 KMT2A (0.48) KMT2AALDH1A1MEN1TSHRLMNA
SCHEMBL2984889 0.83 ALDH1A1 (0.47) KMT2AALDH1A1MEN1TSHRLMNA
SCHEMBL5159048 0.82 MAPT (0.33) KMT2AALDH1A1MEN1TP53MAPT
SCHEMBL2985406 0.81 TSHR (0.54) TSHRMAPTHPGDGHSRNPSR1
SCHEMBL2983764 0.80 LMNA (0.58) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL2982852 0.79 TSHR (0.50) KMT2AALDH1A1MEN1TSHRTP53
SCHEMBL2976914 0.78 TSHR (0.49) ALDH1A1TSHRMAPTHPGDGHSR

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.