SCHEMBL715748

SCHEMBL715748

C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
AR P10275 1/20 0.46
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
KDM1A O60341 2/20 0.42
SCN9A Q15858 2/20 0.40
CCR2 P41597 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL377319 1.00 LMNA (0.47) LMNAARHCAR3HCAR2KDM1A
SCHEMBL29949282 1.00 LMNA (0.47) LMNAARHCAR3HCAR2KDM1A
SCHEMBL377317 1.00 LMNA (0.47) LMNAARHCAR3HCAR2KDM1A
SCHEMBL17437612 0.84 LMNA (0.44) LMNACCR2
SCHEMBL543065 0.81 MEN1 (0.48) LMNASCN9A
SCHEMBL25399396 0.78 ADAM17 (0.41) ARHCAR3HCAR2KDM1A
SCHEMBL6099453 0.78 LMNA (0.51) LMNAHCAR2
SCHEMBL1172865 0.76 LMNA (0.50) LMNAHCAR3HCAR2
SCHEMBL29949390 0.76 LMNA (0.50) LMNAHCAR3HCAR2
SCHEMBL25400175 0.76 LMNA (0.50) LMNAHCAR3HCAR2

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
EP-2408754-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN RECEPTOR FOR THE TREATMENT OF CARDIAC INSUFFICIENCY BAYER IP GMBH (DE) 2013-10-09 EP disclosed
EP-2408754-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF THE VASOPRESSIN RECEPTOR FOR THE TREATMENT OF CARDIAC INSUFFICIENCY BAYER IP GMBH (DE) 2013-10-09 EP disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 US disclosed
US-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-01 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-20120053218-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN-RECEPTOR INHIBITORS FOR TREATING CARDIAC INSUFFICIENCY AVPR2, AVPR1B, AVPR1A LMNA 1542/4885AR 2120/4885HCAR3 178/4885

“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.