SCHEMBL23880784

SCHEMBL23880784

O=C1c2ccc(C3CCCNC3)cc2CN1C1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.48
HTR2B P41595 9/20 0.43
HTR2C P28335 8/20 0.43
HTR2A P28223 7/20 0.43
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
IKZF2 Q9UKS7 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL31482759 0.93 PARP1 (0.47) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL23880766 0.93 PARP1 (0.47) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL26110225 0.90 PARP1 (0.44) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL26106859 0.89 IKZF2 (0.43) PARP1HTR2BHTR2CHTR2AIKZF2
SCHEMBL23880806 0.88 PARP1 (0.43) PARP1HTR2BHTR2CHTR2AIKZF2
SCHEMBL23880805 0.87 PARP1 (0.42) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL26111658 0.87 PARP1 (0.42) PARP1HTR2BHTR2CHTR2AHTR3E
SCHEMBL26110795 0.86 IKZF2 (0.44) PARP1HTR2BHTR2CHTR2AIKZF2
SCHEMBL23880776 0.85 PARP1 (0.43) PARP1HTR2BHTR2CHTR2AIKZF2
SCHEMBL26107285 0.85 PARP1 (0.45) PARP1HTR2BHTR2CHTR2AIKZF2

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-20210309638-A1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2021-10-07 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-20210309638-A1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF XDH, H1-0, RXFP1 PARP1 1056/4885HTR2B 451/4885HTR2C 79/4885

“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.