SCHEMBL2180262

SCHEMBL2180262

COc1ccc(-c2cc(N3CCC(N)C3)nc(C=Cc3nc(N(C)C)c4ccccc4n3)n2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.66
SMPD3 Q9NY59 2/20 0.43
ACACA Q13085 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 4/20 0.38
DHODH Q02127 1/20 0.38
NTSR1 P30989 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2180258 1.00 PDE10A (0.66) PDE10ASMPD3ACACAKMT2AKDM4E
Hydrochloric Acid SCHEMBL2180620 0.99 PDE10A (0.65) PDE10ASMPD3ACACAKMT2AKDM4E
Hydrochloric Acid SCHEMBL2180625 0.99 PDE10A (0.65) PDE10ASMPD3ACACAKMT2AKDM4E
SCHEMBL2178794 0.90 PDE10A (0.66) PDE10ASMPD3ACACAKMT2AKDM4E
SCHEMBL2178797 0.90 PDE10A (0.66) PDE10ASMPD3ACACAKMT2AKDM4E
SCHEMBL2212770 0.88 PDE10A (0.61) PDE10ASMPD3ACACAKMT2AKDM4E
SCHEMBL2179110 0.87 PDE10A (0.73) PDE10AACACAKMT2AKDM4EALDH1A1
SCHEMBL2179117 0.87 PDE10A (0.73) PDE10AACACAKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2179746 0.87 PDE10A (0.72) PDE10AACACAKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL2179742 0.87 PDE10A (0.72) PDE10AACACAKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B PDE10A 1/4885SMPD3 129/4885ACACA 3651/4885

“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.