SCHEMBL867470

SCHEMBL867470

Clc1ccc(C2(CCC3CC3)CO2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
CHRNA1 P02708 2/20 0.36
CHRNG P07510 2/20 0.36
CHRNB1 P11230 2/20 0.36
CHRNB2 P17787 2/20 0.36
SLC6A2 P23975 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRND Q07001 2/20 0.36
MAOB P27338 4/20 0.34
MAOA P21397 3/20 0.34
KDM1A O60341 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CEL P19835 2/20 0.33

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
SCHEMBL866796 0.82 SLC6A3 (0.37) UTS2RSLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL11273687 0.77 UTS2R (0.40) UTS2RSLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL10638461 0.74 UTS2R (0.38) UTS2RSLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL10434640 0.73 UTS2R (0.35) UTS2RSLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL9667369 0.72 SLC6A4 (0.41) UTS2RSLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL11044632 0.72 UTS2R (0.40) UTS2RSLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL10876682 0.72 SLC6A4 (0.40) UTS2RSLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL8807095 0.69 UTS2R (0.38) UTS2RSLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL10511334 0.67 KMT2A (0.36) SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL10979957 0.65 LMNA (0.45) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021123935-A1 AN IMPROVED PROCESS FOR PREPARATION OF AN AZOLE FUNGICIDE COROMANDEL INTERNATIONAL LIMITED (IN) 2021-06-24 WO disclosed
EP-2440535-A1 ANTIFUNGAL 1,2,4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2012-04-18 EP disclosed
US-20120077676-A1 Antifungal 1,2,4-Triazolyl Derivatives Having a 5-Sulfur Substituent BASF SE (DE) 2012-03-29 US disclosed
WO-2010142779-A1 ANTIFUNGAL 1,2,4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2010-12-16 WO 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-20120077676-A1 Antifungal 1,2,4-Triazolyl Derivatives Having a 5-Sulfur Substituent ERG28, STS, CYP51A1 UTS2R 2586/4885SLC6A4 2501/4885SLC6A3 3106/4885

“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.