SCHEMBL3857762

SCHEMBL3857762

CCOC(=O)N1CCc2c(c3cccc(Sc4ccc(SC)cc4)c3n2C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC1 Q13547 2/20 0.44
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PABPC1 P11940 1/20 0.38
ATM Q13315 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
KMT2A Q03164 1/20 0.36
GRM5 P41594 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 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
SCHEMBL3859519 0.89 HDAC1 (0.43) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3866765 0.82 HDAC1 (0.44) HDAC6HDAC10HDAC1PTGDR2MAPK1
SCHEMBL3865365 0.81 PTGDR2 (0.41) HDAC6HDAC10HDAC1PTGDR2CYP3A4
SCHEMBL3861822 0.80 CYP1A2 (0.51) HDAC6HDAC1HRH2HRH1KDM4E
SCHEMBL3859513 0.79 HDAC6 (0.50) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3863830 0.79 HDAC6 (0.50) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL1841759 0.77 HDAC6 (0.48) HDAC6HDAC10HDAC1PTGDR2KMT2A
SCHEMBL3857150 0.77 KDM4E (0.48) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3858150 0.76 HDAC10 (0.47) HDAC6HDAC10HDAC1AKR1B10AKR1B1
SCHEMBL3863464 0.71 LMNA (0.33) LMNASMN1; SMN2ATMKDM4EKMT2A

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.