SCHEMBL4828784

SCHEMBL4828784

O=C(OCc1ccccc1)N1CCN(CCBr)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2C19 P33261 1/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 2/20 0.55
ENPP2 Q13822 1/20 0.53
TNKS O95271 1/20 0.53
PARP1 P09874 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
SIGMAR1 Q99720 4/20 0.51
TMEM97 Q5BJF2 3/20 0.51
HTR2A P28223 3/20 0.48
OPRM1 P35372 2/20 0.48

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
SCHEMBL3966816 1.00 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30239461 0.92 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL92564 0.87 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5151317 0.86 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL335166 0.86 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL553975 0.86 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 9 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-7407949-B2 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2008-08-05 US disclosed
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2006-07-27 US disclosed
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
US-20050032777-A1 Diazacycloalkanes as oxytocin agonists FEERING B.V. (NL) 2005-02-10 US disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP disclosed
EP-1421087-A1 DIAZACYCLOALKANES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2004-05-26 EP 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 (3 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-20050032777-A1 Diazacycloalkanes as oxytocin agonists OXTR, GNRHR, KISS1R MEN1 1695/4885KMT2A 4463/4885NPSR1 30/4885
US-20080275026-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B MEN1 1529/4885KMT2A 1922/4885NPSR1 37/4885
US-20060166971-A1 Benzamide derivatives as oxytocin agonists and vasopressin antagonists AVPR1A, AVPR2, AVPR1B MEN1 1529/4885KMT2A 1922/4885NPSR1 37/4885

“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.