SCHEMBL6605550

SCHEMBL6605550

c1cc(OC[C@@H]2CO2)c2ccsc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GLA P06280 1/20 0.51
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
EPAS1 Q99814 2/20 0.35
PDK1 Q15118 1/20 0.35
SLC6A4 P31645 4/20 0.34

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
SCHEMBL7954118 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL6605556 1.00 ALDH1A1 (0.51) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL729501 0.80 ALDH1A1 (0.65) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL9538716 0.77 ALDH1A1 (0.49) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL18812765 0.75 ALDH1A1 (0.67) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL5026215 0.74 ALDH1A1 (0.62) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL5433989 0.74 ALDH1A1 (0.62) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL31120482 0.74 ALDH1A1 (0.57) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL29402954 0.74 ALDH1A1 (0.62) ALDH1A1GLATP53TSHRHIF1A
SCHEMBL93314 0.74 ALDH1A1 (0.62) ALDH1A1GLATP53TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784180-B2 INHIBITING THE REUPTAKE OF SEROTONIN AND ANTAGONIZING THE 5-HT1A RECEPTOR; AS ANTIDEPRESSANT OR TO POTENTIATE EFFECTS OF ANOTHER SSRI ELI LILLY AND COMPANY 2004-08-31 US disclosed
EP-1250336-B1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2004-05-12 EP disclosed
US-20030225281-A1 Piperidines derivatives and their use as serotonin receptor antagonists ELI LILLY AND COMPANY 2003-12-04 US disclosed
EP-1250336-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001046179-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP 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-20030225281-A1 Piperidines derivatives and their use as serotonin receptor antagonists HTR1A, HTR1D, HTR5A ALDH1A1 327/4885GLA 3742/4885TP53 4545/4885

“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.