SCHEMBL960678

SCHEMBL960678

CCN(Cc1ccc(Cl)cc1Cl)c1cccc(-c2cccc(C(=O)NCCO)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.50
GPR52 Q9Y2T5 2/20 0.45
FYN P06241 3/20 0.44
MAP4K4 O95819 1/20 0.42
KMT2A Q03164 1/20 0.41
PTGDR Q13258 1/20 0.41
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ALPL P05186 1/20 0.38
ALPG P10696 1/20 0.38

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
SCHEMBL3406869 0.93 CNR1 (0.46) CNR1GPR52FYNMAP4K4PTGDR
SCHEMBL958112 0.78 GPR52 (0.48) CNR1GPR52FYNMAP4K4KMT2A
SCHEMBL959317 0.74 GPR52 (0.52) CNR1GPR52FYNMAP4K4KMT2A
SCHEMBL960460 0.73 FYN (0.50) GPR52FYNMAP4K4KMT2APOLB
SCHEMBL1513331 0.73 FYN (0.48) GPR52FYNMAP4K4KMT2APTGDR
SCHEMBL1513123 0.71 FYN (0.46) GPR52FYNMAP4K4PTGDR
SCHEMBL1513274 0.70 FYN (0.49) GPR52FYNMAP4K4KMT2APTGDR
SCHEMBL1513288 0.69 FYN (0.43) CNR1GPR52FYNKMT2APTGDR
SCHEMBL1513501 0.69 FYN (0.49) CNR1GPR52FYNMAP4K4POLB
SCHEMBL1513253 0.68 FYN (0.51) CNR1GPR52FYNMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 CNR1 63/4885GPR52 23/4885FYN 1882/4885

“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.