SCHEMBL3858150

SCHEMBL3858150

CCOC(=O)N1CCc2c(c3cccc(Nc4ccc(C)cc4)c3n2C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC10 Q969S8 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
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
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 3/20 0.41
CREBBP Q92793 3/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3857088 0.81 CYP1A2 (0.51) HDAC6HDAC1ALDH1A1TSHRGAA
SCHEMBL3863830 0.80 HDAC6 (0.50) HDAC10HDAC6HDAC1SMN1; SMN2LMNA
SCHEMBL3859513 0.80 HDAC6 (0.50) HDAC10HDAC6HDAC1SMN1; SMN2LMNA
SCHEMBL3857150 0.78 KDM4E (0.48) HDAC10HDAC6HDAC1SMN1; SMN2LMNA
SCHEMBL3857762 0.76 HDAC6 (0.44) HDAC10HDAC6HDAC1SMN1; SMN2LMNA
SCHEMBL3859519 0.72 HDAC1 (0.43) HDAC10HDAC6HDAC1SMN1; SMN2LMNA
SCHEMBL23148492 0.70 PTGDR2 (0.59) HDAC10HDAC6HDAC1AKR1B10AKR1B1
SCHEMBL12129709 0.70 BAZ2B (0.49) HDAC10HDAC6HDAC1SMN1; SMN2LMNA
SCHEMBL12128750 0.70 HDAC10 (0.47) HDAC10HDAC6HDAC1SMN1; SMN2LMNA
SCHEMBL5515388 0.69 HDAC1 (0.42) HDAC10HDAC6HDAC1SMN1; SMN2LMNA

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 HDAC10 2365/4885HDAC6 2570/4885HDAC1 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.