SCHEMBL5778809

SCHEMBL5778809

CC1(C)C(=O)C(C)(C)c2cc(C(=O)CN3CCN(c4n[nH]c5ccccc45)CC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.43
PARP1 P09874 3/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TNKS O95271 2/20 0.40
PARP2 Q9UGN5 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
NSD2 O96028 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
ENPP2 Q13822 1/20 0.36
MAPK10 P53779 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL6399094 0.84
SCHEMBL6399312 0.82 DRD2 (0.46) DRD2
SCHEMBL5739938 0.80 MAPT (0.42) KDRMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL6399135 0.75
SCHEMBL6398289 0.73 DRD2 (0.52) DRD2
SCHEMBL5776547 0.71 POLB (0.39)
SCHEMBL9778335 0.69 KMT2A (0.50) PARP1MAPTALDH1A1TNKSPARP2
SCHEMBL9778596 0.67 MEN1 (0.64) PARP1MAPTALDH1A1TNKSPARP2
SCHEMBL10416288 0.67 PARP1 (0.54) PARP1MAPTALDH1A1KDM4ETNKS
SCHEMBL14280121 0.66 PARP1 (0.50) PARP1MAPTALDH1A1KDM4ETNKS

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
EP-1697334-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-09-06 EP disclosed
US-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia GRAHAM JAMES M 2005-12-22 US disclosed
WO-2005056540-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 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-20050282819-A1 Heterocyclic substituted indane derivatives and related compounds for the treatment of schizophrenia CHRM1, CHRM2, CHRM5 KDR 3827/4885PARP1 4069/4885MAPT 1734/4885

“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.