SCHEMBL2985704

SCHEMBL2985704

CC(=O)OC(C)C(=O)NC1CCC(Cc2ccc(C)cc2)(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2984799 0.90 TDP1 (0.44) HPGDPOLB
SCHEMBL2991421 0.90 OPRM1 (0.47) KMT2AHPGDPOLBSMN1; SMN2OPRM1
SCHEMBL2989023 0.88 SSTR4 (0.44) KMT2AHPGDPOLBSMN1; SMN2OPRM1
SCHEMBL2982852 0.84 TSHR (0.50) KMT2AHPGDRAB9ASMN1; SMN2OPRM1
SCHEMBL2983414 0.83 HPGD (0.45) KMT2AHPGDPOLBSMN1; SMN2TSHR
SCHEMBL2985723 0.83 POLB (0.40) KMT2AHPGDPOLBSMN1; SMN2OPRM1
SCHEMBL2978570 0.83 EPHX2 (0.42) KMT2AHPGDPOLBOPRM1OPRL1
SCHEMBL2987746 0.80 KMT2A (0.46) KMT2AHPGDPOLBRAB9ASMN1; SMN2
SCHEMBL2984811 0.80 TSHR (0.43) KMT2AHPGDPOLBSMN1; SMN2OPRM1
SCHEMBL2982776 0.78 AQP3 (0.39) KMT2AHPGDPOLBRAB9ASMN1; SMN2

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 3786/4885HPGD 162/4885POLB 1844/4885

“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.