SCHEMBL1345801

SCHEMBL1345801

NC(=O)c1cccc(-c2ccc(CNCCC3CCCCC3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.43
FAAH O00519 2/20 0.43
TRPA1 O75762 1/20 0.43
EPHX2 P34913 1/20 0.43
FAAH2 Q6GMR7 1/20 0.43
MGLL Q99685 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
FYN P06241 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CCNT1 O60563 1/20 0.42
CCND1 P24385 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK6 Q00534 1/20 0.42

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
SCHEMBL1348267 0.84 MEN1 (0.48) HDAC6FAAHTRPA1EPHX2FAAH2
SCHEMBL1347674 0.83 OPRM1 (0.48) HDAC6FAAHTRPA1EPHX2FAAH2
SCHEMBL1347678 0.82 KDM1A (0.47) HDAC6FAAHTRPA1EPHX2FAAH2
SCHEMBL1345822 0.82 KDM1A (0.47) HDAC6FAAHTRPA1EPHX2FAAH2
SCHEMBL1345865 0.81 FAAH (0.44) HDAC6FAAHTRPA1EPHX2FAAH2
SCHEMBL1347744 0.80 FAAH (0.44) HDAC6FAAHTRPA1EPHX2FAAH2
SCHEMBL1347281 0.80 FAAH (0.43) HDAC6FAAHTRPA1EPHX2FAAH2
SCHEMBL1347785 0.79 FYN (0.45) HDAC6HDAC1HDAC8FYNCCNT1
SCHEMBL1345818 0.79 OPRM1 (0.49) HDAC6FAAHHDAC1HDAC8FYN
Trifluoroacetic Acid SCHEMBL3343134 0.79 HTR5A (0.47) HDAC6FAAHTRPA1EPHX2FAAH2

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-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 WO 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 HDAC6 752/4885FAAH 224/4885TRPA1 312/4885

“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.