SCHEMBL5835277

SCHEMBL5835277

Cc1cc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ncccc32)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
SLC6A7 Q99884 1/20 0.34
P2RX7 Q99572 5/20 0.33
AVPR2 P30518 4/20 0.33
SLC22A12 Q96S37 2/20 0.33
SCN9A Q15858 2/20 0.33
SCN5A Q14524 1/20 0.33
HSD11B1 P28845 1/20 0.33
RORC P51449 1/20 0.32
AVPR1A P37288 2/20 0.32
HTR2C P28335 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL6485111 0.92 AVPR2 (0.37) TRPV1SLC6A7P2RX7AVPR2SLC22A12
SCHEMBL5782957 0.88 AVPR2 (0.40) TRPV1SLC6A7P2RX7AVPR2HSD11B1
SCHEMBL5783972 0.88 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL5890624 0.85 KDM4E (0.38) TRPV1
SCHEMBL5835650 0.83 AVPR1A (0.47) AVPR2AVPR1A
SCHEMBL5785156 0.79 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL3535323 0.79 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL5891460 0.77 HSP90AA1 (0.44) SLC6A7AVPR2
SCHEMBL5891117 0.77 AVPR2 (0.38) AVPR2RORCAVPR1A
SCHEMBL5783482 0.77 AVPR2 (0.39) AVPR2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 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 (2 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 TRPV1 11/4885SLC6A7 236/4885P2RX7 166/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 TRPV1 28/4885SLC6A7 295/4885P2RX7 471/4885

“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.