SCHEMBL2962008

SCHEMBL2962008

OC[C@@H]1CNc2ccccc2CN1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
PNMT P11086 6/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CREBBP Q92793 1/20 0.38

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
SCHEMBL10324241 1.00 MEN1 (0.65) MEN1KMT2APNMTMTNR1AMTNR1B
SCHEMBL5058983 0.83 MEN1 (0.65) MEN1KMT2APNMTMTNR1AMTNR1B
SCHEMBL6616489 0.80 MEN1 (0.97) MEN1KMT2APNMT
SCHEMBL6634269 0.76 MEN1 (0.57) MEN1KMT2APNMTMTNR1AMTNR1B
SCHEMBL894207 0.74 PNMT (0.67) PNMT
SCHEMBL29590036 0.74 PNMT (0.67) PNMT
SCHEMBL4738129 0.74 PNMT (0.67) PNMT
SCHEMBL29570471 0.74 PNMT (0.67) PNMT
SCHEMBL894205 0.74 PNMT (0.67) PNMT
SCHEMBL29743356 0.74 PNMT (0.67) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184537-A1 [1,4]-BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS SHIRE-MOVETIS N.V. 2012-07-19 US disclosed
US-20120184537-A1 [1,4]-BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS SHIRE-MOVETIS N.V. 2012-07-19 US disclosed
US-20120184537-A1 [1,4]-BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS SHIRE-MOVETIS N.V. 2012-07-19 US disclosed
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed
EP-1809296-A4 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-03-11 EP disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1809296-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
US-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-01 US disclosed
WO-2006049984-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO disclosed
WO-2006049984-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 MEN1 1124/4885KMT2A 3949/4885PNMT 1501/4885
US-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists AVPR2, AVPR1B, AVPR1A MEN1 3414/4885KMT2A 4159/4885PNMT 2130/4885
US-20120184537-A1 [1,4]-BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS AVPR2, AVPR1B, AVPR1A MEN1 1835/4885KMT2A 3445/4885PNMT 2224/4885

“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.