SCHEMBL6963676

SCHEMBL6963676

CC(C)COc1cccc2[nH]c(C(=O)NC3CCN(C[C@@H]4CCCN5CCCC[C@H]45)CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 2/20 0.36
SLC2A1 P11166 1/20 0.36
MEN1 O00255 1/20 0.36
RCE1 Q9Y256 1/20 0.36
MAPT P10636 1/20 0.36
RHEB Q15382 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL914813 0.88 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EPARP1MAPT
Hydrochloric Acid SCHEMBL4405691 0.87 LMNA (0.37) ALDH1A1LMNAKDM4EMAPTTDP1
SCHEMBL913781 0.85 KMT2A (0.41) KMT2AALDH1A1LMNAMAPTRHEB
SCHEMBL13593435 0.85 KMT2A (0.41) KMT2AALDH1A1LMNAMAPTRHEB
SCHEMBL914473 0.85 KMT2A (0.44) KMT2AALDH1A1LMNAKDM4ECYP1A2
SCHEMBL914256 0.85 KMT2A (0.44) KMT2AALDH1A1LMNAKDM4ECYP1A2
SCHEMBL914948 0.84 KMT2A (0.39) KMT2AALDH1A1MEN1MAPTRHEB
SCHEMBL6963729 0.84 KMT2A (0.42) KMT2AALDH1A1LMNAKDM4ECYP1A2
SCHEMBL6963683 0.83 KMT2A (0.37) KMT2AALDH1A1LMNAHSD17B10PARP1
SCHEMBL914848 0.83 SLC2A1 (0.45) KMT2AALDH1A1LMNAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 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 (2 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4109/4885ALDH1A1 1647/4885LMNA 4664/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4125/4885ALDH1A1 1732/4885LMNA 4670/4885

“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.