SCHEMBL4943922

SCHEMBL4943922

COc1cccc(-n2c(CCCCC(=O)NCC3CC3)nnc2SCc2ccccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
VCP P55072 1/20 0.39

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 0.88 HPGD (0.44) CNR1CNR2CYP2D6CYP2C19TP53
SCHEMBL4943447 0.88 USP2 (0.48) CNR1CNR2CYP2D6CYP2C19TP53
SCHEMBL4940196 0.88 TSHR (0.45) CNR1CNR2CYP2D6CYP2C19TP53
SCHEMBL4943894 0.85 TLR8 (0.43) CNR1CNR2CYP2D6CYP2C19LMNA
SCHEMBL4944015 0.85 ALDH1A1 (0.55) CYP2D6CYP2C19TP53LMNAHPGD
SCHEMBL4940177 0.82 ALDH1A1 (0.50) CYP2D6CYP2C19TP53LMNANPSR1
SCHEMBL4942529 0.82 ALDH1A1 (0.51) CYP2D6CYP2C19LMNANPSR1ALDH1A1
SCHEMBL4942943 0.81 ALDH1A1 (0.52) LMNAHPGDTSHRALDH1A1TDP1
SCHEMBL4941910 0.80 GAA (0.50) TP53LMNAHPGDTSHRHSD17B10
SCHEMBL4945189 0.80 ANO1 (0.44) CYP2D6CYP2C19TP53HPGDTSHR

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-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
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO 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
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 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-20050187275-A1 Triazoles as oxytocin antagonists OXTR, AVPR2, AVPR1B CNR1 316/4885CNR2 341/4885CYP2D6 1854/4885

“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.