SCHEMBL4940196

SCHEMBL4940196

COc1cccc(-n2c(CCCCC(=O)NCC3CC3)nnc2SCc2cccc(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 2/20 0.42
METAP2 P50579 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
TLR8 Q9NR97 1/20 0.41

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
SCHEMBL4945109 0.95 HPGD (0.44) TSHRHPGDUSP2HSD17B10NPSR1
SCHEMBL4943447 0.93 USP2 (0.48) TSHRHPGDUSP2HSD17B10NPSR1
SCHEMBL4943894 0.92 TLR8 (0.43) TSHRHPGDUSP2HSD17B10NPSR1
SCHEMBL4941910 0.91 GAA (0.50) TSHRHPGDHSD17B10NPSR1LMNA
SCHEMBL4943922 0.88 CNR1 (0.43) TSHRHPGDUSP2HSD17B10NPSR1
SCHEMBL4944943 0.88 TSHR (0.58) TSHRHPGDUSP2HSD17B10NPSR1
SCHEMBL4945590 0.88 TSHR (0.48) TSHRHPGDUSP2HSD17B10NPSR1
SCHEMBL4945036 0.86 ALDH1A1 (0.56) TSHRHPGDUSP2HSD17B10NPSR1
SCHEMBL4944461 0.85 USP2 (0.46) TSHRHPGDUSP2HSD17B10NPSR1
SCHEMBL4941219 0.85 TSHR (0.58) TSHRHPGDUSP2HSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US claimed
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 EP claimed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 US claimed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 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-20050187275-A1 Triazoles as oxytocin antagonists OXTR, AVPR2, AVPR1B TSHR 148/4885HPGD 561/4885USP2 3451/4885

“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.