SCHEMBL1008169

SCHEMBL1008169

CCCCc1nn(Cc2ccc(C(=O)N3CCCC3)cc2)c2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
CYP2D6 P10635 1/20 0.44
GRIA2 P42262 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AVPR2 P30518 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
KCNK3 O14649 1/20 0.42
CHKA P35790 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL1007553 0.90 HRH3 (0.48) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1007995 0.86 RARB (0.47) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL1005669 0.83 GAA (0.48) MEN1KMT2ARAB9ACHKA
SCHEMBL1009726 0.83 HRH3 (0.50) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1006577 0.83 GRIA2 (0.52) HPGDALDH1A1MEN1KMT2AHRH3
SCHEMBL1009877 0.80 HRH3 (0.51) HPGDALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1008235 0.78 HRH3 (0.46) HPGDALDH1A1MEN1KMT2AHRH3
SCHEMBL3134055 0.78 GRIA2 (0.69) ALDH1A1CYP2D6GRIA2
SCHEMBL1007283 0.76 KDM4E (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL1007656 0.73 RAB9A (0.51) HPGDALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 HPGD 2564/4885ALDH1A1 614/4885MEN1 1454/4885

“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.