SCHEMBL3863830

SCHEMBL3863830

CCOC(=O)N1CCc2c(c3cccc(I)c3n2C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC1 Q13547 2/20 0.50
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
POLB P06746 1/20 0.41
GRM5 P41594 2/20 0.41

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
SCHEMBL3859513 0.86 HDAC6 (0.50) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3857150 0.84 KDM4E (0.48) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3858150 0.80 HDAC10 (0.47) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3857762 0.79 HDAC6 (0.44) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3859519 0.78 HDAC1 (0.43) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL1842018 0.76 CYP1A2 (0.61) HDAC6HDAC1KDM4EALDH1A1SIGMAR1
SCHEMBL23148492 0.75 PTGDR2 (0.59) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3863241 0.75 LMNA (0.59) AKR1B10AKR1B1SMN1; SMN2LMNAPABPC1
SCHEMBL5515388 0.75 HDAC1 (0.42) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL14067959 0.75 TMEM97 (0.47) HDAC6HDAC10HDAC1AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR1D HDAC6 2570/4885HDAC10 2365/4885HDAC1 1630/4885

“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.