SCHEMBL823067

SCHEMBL823067

CC(=O)O[C@@H]1CCN[C@@H]1Cc1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.49
SLC6A4 P31645 1/20 0.49
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
DNMT1 P26358 2/20 0.42
PDE4D Q08499 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL818239 1.00 HTR6 (0.49) HTR6SLC6A4KMT2APKMMEN1
SCHEMBL820693 0.84 GPR84 (0.44) HTR6SLC6A4TSHR
SCHEMBL818489 0.82 MTNR1A (0.48) HTR6SLC6A4
SCHEMBL820684 0.82 MTNR1A (0.48) HTR6SLC6A4
SCHEMBL819386 0.77 KDM4E (0.34) KMT2AMEN1CYP2C19HPGDHTT
SCHEMBL820310 0.77 KDM4E (0.34) KMT2AMEN1CYP2C19HPGDHTT
SCHEMBL820876 0.72 POLB (0.49) HTR6KMT2AHPGDALDH1A1MAPT
SCHEMBL818363 0.72 POLB (0.49) HTR6KMT2AHPGDALDH1A1MAPT
SCHEMBL1864140 0.70 SMN1; SMN2 (0.62) KMT2AMEN1LMNACYP2C19ALDH1A1
SCHEMBL12405713 0.69 XIAP (0.40) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 HTR6 4408/4885SLC6A4 4770/4885KMT2A 4487/4885

“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.