SCHEMBL8346265

SCHEMBL8346265

Cn1ncc2c1Nc1ncccc1NC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.37
GSK3B P49841 1/20 0.36
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
IDH1 O75874 8/20 0.33
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AVPR2 P30518 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL1496015 0.82 TSPO (0.48) TSPONPSR1AVPR2OXTRAVPR1A
Hydrochloric Acid SCHEMBL25255088 0.81 TSPO (0.47) TSPOAVPR2OXTRAVPR1A
SCHEMBL21378907 0.76 TSPO (0.37) TSPOAVPR2OXTRAVPR1A
Phosphoric Acid SCHEMBL25258829 0.76 TSPO (0.49) TSPOAVPR2OXTRAVPR1A
SCHEMBL18917224 0.75 TSPO (0.36) TSPOAVPR2OXTRAVPR1A
SCHEMBL8346319 0.73 CYP1A2 (0.50) GSK3BCYP1A2SMN1; SMN2
SCHEMBL4606296 0.73 ALOX15 (0.42) GSK3BIDH1CYP1A2SMN1; SMN2NPSR1
SCHEMBL21396899 0.72 HTR5A (0.45) TSPONPSR1AVPR2OXTRAVPR1A
SCHEMBL7337375 0.72 HTR5A (0.47) GSK3BIDH1CYP1A2SMN1; SMN2NPSR1
SCHEMBL21379004 0.71 TSPO (0.35) TSPODRD2DRD4CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. 2008-11-06 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
WO-2003016316-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2003-02-27 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-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B TSPO 1090/4885GSK3B 4883/4885DRD2 527/4885

“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.