SCHEMBL1159546

SCHEMBL1159546

C=CC(=O)c1ccc2n1CCc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
PTAFR P25105 1/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BCAT2 O15382 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
HDAC1 Q13547 1/20 0.34
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
NOTUM Q6P988 2/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL31105304 0.82 SRD5A1 (0.41) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL1158808 0.81 BCAT2 (0.46) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL2498448 0.77 BCAT2 (0.37) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL2517925 0.73 MTNR1A (0.41) MAPTKMT2AMEN1MTNR1AMTNR1B
SCHEMBL2736494 0.71 CES1 (0.41) MAPTKMT2AMEN1TAAR1RAB9A
SCHEMBL215395 0.70 SERPINE1 (0.39) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL5658471 0.67 CES1 (0.44) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL216474 0.66 BRD4 (0.42) MAPTKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL9336210 0.66 KDM4E (0.47) MAPTKMT2ARAB9AKDM4ENPC1
SCHEMBL2778467 0.66 HRH1 (0.43) MAPTKMT2AMEN1RAB9AKDM4E

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-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 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-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 AKT1 3056/4885MAPT 3274/4885KMT2A 1445/4885

“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.