SCHEMBL16319004

SCHEMBL16319004

COc1cc(C(=O)C2CC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.44
ACACB O00763 1/20 0.43
POLB P06746 1/20 0.42
CTSA P10619 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTR1F P30939 1/20 0.41
GRM1 Q13255 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3A P49840 1/20 0.40

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
SCHEMBL30533369 1.00 PROKR1 (0.50) PROKR1NPC1RAB9AKCNK3KCNK9
SCHEMBL27841468 0.79 KCNK3 (0.52) PROKR1KCNK3KCNK9CTSAALDH1A1
SCHEMBL8683258 0.78 PROKR1 (0.47) PROKR1NPC1RAB9APIK3C3HTR1F
SCHEMBL29640109 0.78 KCNK3 (0.55) PROKR1KCNK3KCNK9ACACBCTSA
SCHEMBL229446 0.78 KDM4C (0.57) PROKR1RAB9AKCNK3KCNK9CTSA
SCHEMBL29556902 0.78 KDM4C (0.57) PROKR1RAB9AKCNK3KCNK9CTSA
SCHEMBL12640026 0.78 KCNK3 (0.55) PROKR1KCNK3KCNK9ACACBCTSA
SCHEMBL2799836 0.77 KCNK3 (0.48) PROKR1NPC1RAB9AKCNK3KCNK9
SCHEMBL445784 0.76 NNMT (0.56) PROKR1KCNK3KCNK9ALDH1A1LOX
SCHEMBL2431121 0.76 KCNK3 (0.50) PROKR1KCNK3KCNK9CTSAALDH1A1

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-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 PROKR1 220/4885NPC1 673/4885RAB9A 2993/4885

“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.