SCHEMBL17700718

SCHEMBL17700718

Cc1cccc(NCC2CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.51
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CACNA1B Q00975 2/20 0.44
APBA1 Q02410 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
IDH1 O75874 1/20 0.43
USP30 Q70CQ3 1/20 0.42
GPR39 O43194 1/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL23028601 0.88 CCNT1 (0.47) CRHR1NPSR1HSD17B10RAB9ANPC1
SCHEMBL1441523 0.83 NPSR1 (0.43) CRHR1NPSR1HSD17B10RAB9ANPC1
SCHEMBL1441524 0.83 NPSR1 (0.43) CRHR1NPSR1HSD17B10RAB9ANPC1
SCHEMBL10270089 0.81 NPSR1 (0.41) CRHR1NPSR1HSD17B10RAB9ANPC1
SCHEMBL7010205 0.79 SLC6A2 (0.44) CRHR1KMT2AMEN1IDH1USP30
SCHEMBL13685245 0.79 IDH1 (0.43) KMT2AMEN1ALDH1A1IDH1USP30
SCHEMBL16333975 0.79 IDH1 (0.43) CRHR1ALDH1A1IDH1USP30GPR39
SCHEMBL19621674 0.76 IRAK4 (0.52) GPR39
SCHEMBL8542219 0.75 CRHR1 (0.51) CRHR1KMT2AMEN1MAPK1IDH1
SCHEMBL2324870 0.75 GRM5 (0.57) NPSR1HSD17B10RAB9ANPC1L3MBTL1

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
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 CRHR1 773/4885NPSR1 1354/4885HSD17B10 995/4885

“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.