SCHEMBL400825

SCHEMBL400825

O=C1OCc2ccccc2N1C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.54
NOTUM Q6P988 1/20 0.54
OXTR P30559 10/20 0.52

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
Hydrochloric Acid SCHEMBL2267895 0.99 HTR6 (0.53) HTR6NOTUMOXTR
SCHEMBL7359223 0.81 HTR6 (0.59) HTR6NOTUMOXTR
Hydrochloric Acid SCHEMBL7538150 0.81 OXTR (0.45) HTR6OXTR
SCHEMBL3381685 0.81 OXTR (0.41) HTR6NOTUMOXTR
SCHEMBL3378297 0.81 HTR2A (0.43) HTR6OXTR
SCHEMBL3380254 0.81 OXTR (0.41) HTR6OXTR
SCHEMBL3381538 0.81 OXTR (0.43) OXTR
SCHEMBL3377927 0.81 OXTR (0.43) HTR6OXTR
SCHEMBL3379474 0.81 HTR2C (0.47) NOTUM
Hydrochloric Acid SCHEMBL7441572 0.80 OXTR (0.40) HTR6OXTR

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576536-B1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS UNIV QUEENSLAND (AU) 2016-09-14 EP disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
EP-2408304-A1 CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-25 EP disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed
EP-0785784-A1 4-HETEROCYCLIC PIPERIDINES PROMOTE RELEASE OF GROWTH HORMONE Merck & Co., Inc. (US) 1997-07-30 EP disclosed
WO-1997025992-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed
EP-0755392-A4 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-05-02 EP disclosed
EP-0755392-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-29 EP disclosed
WO-1996022775-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-01 WO disclosed
EP-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
WO-1996013265-A1 4-HETEROCYCLIC PIPERIDINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1996-05-09 WO disclosed
WO-1995028397-A1 ALPHA1C ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-10-26 WO disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 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 (4 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-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS HTR6 1431/4885NOTUM 2612/4885OXTR 4551/4885
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 HTR6 362/4885NOTUM 3741/4885OXTR 215/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL HTR6 357/4885NOTUM 3626/4885OXTR 213/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R HTR6 1/4885NOTUM 1810/4885OXTR 64/4885

“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.