SCHEMBL3863464

SCHEMBL3863464

CCC1c2c(n(C)c3c(Sc4ccc(SC)cc4)cccc23)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.31
RAB9A P51151 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30

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
SCHEMBL3861822 0.71 CYP1A2 (0.51) KDM4EALDH1A1GAA
SCHEMBL3857762 0.71 HDAC6 (0.44) LMNASMN1; SMN2KMT2AKDM4EATM
SCHEMBL3865365 0.67 PTGDR2 (0.41) ALDH1A1
SCHEMBL19132554 0.61 ABCB1 (0.46) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL3857059 0.59 CYP1A2 (0.49) KDM4EALDH1A1GAA
SCHEMBL19471046 0.58 KEAP1 (0.34) KMT2A
SCHEMBL8531499 0.58 SIRT1 (0.56) SMN1; SMN2KDM4ERAB9AALDH1A1
SCHEMBL5625371 0.57 AKR1C4 (0.31)
SCHEMBL22528275 0.57 HTR5A (0.45)
SCHEMBL19471000 0.56 DRD1 (0.39) LMNASMN1; SMN2KMT2AMEN1ALDH1A1

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 LMNA 3302/4885TP53 3748/4885SMN1; SMN2 2094/4885

“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.