SCHEMBL6552912

SCHEMBL6552912

CC1(CC(=O)O)OCCc2ccsc21

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.61
OPRL1 P41146 6/20 0.40
MAP3K14 Q99558 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RORC P51449 1/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3875424 0.79 SIGMAR1 (0.41) TAAR1TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL4751966 0.75 TSHR (0.43) TSHRL3MBTL1LMNA
SCHEMBL5420858 0.70 TSHR (0.39) TSHRALDH1A1SMN1; SMN2
SCHEMBL11738260 0.69 NPC1 (0.41) TSHRALDH1A1SMN1; SMN2
SCHEMBL11674029 0.68 HTT (0.42) TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL11741941 0.67 KDM4E (0.41) ALDH1A1SMN1; SMN2
SCHEMBL11768890 0.66 TSHR (0.38) TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL6530065 0.66 CYP1A2 (0.39) TSHRL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1807709 0.66 OPRL1 (0.53) TAAR1OPRL1RORC
SCHEMBL31387399 0.63 OPRL1 (0.47) TAAR1OPRL1RORC

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
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E TAAR1 150/4885OPRL1 30/4885MAP3K14 4516/4885

“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.