SCHEMBL493752

SCHEMBL493752

CN(C)C(=O)C1CCN(C2CN(CC[C@H](CN(C)C(=O)c3cc(Br)cc(C(F)(F)F)c3)c3ccc(F)cc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.44
TACR1 P25103 1/20 0.37

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
SCHEMBL4415461 0.93 TACR2 (0.44) TACR2TACR1
SCHEMBL493726 0.93 TACR2 (0.44) TACR2TACR1
SCHEMBL493745 0.91 TACR2 (0.43) TACR2TACR1
SCHEMBL3766385 0.89 TACR2 (0.44) TACR2TACR1
Fumaric Acid SCHEMBL493497 0.89 TACR2 (0.43) TACR2TACR1
Maleic Acid SCHEMBL493496 0.89 TACR2 (0.43) TACR2TACR1
SCHEMBL493759 0.89 TACR2 (0.49) TACR2TACR1
Hydrochloric Acid SCHEMBL3766672 0.88 TACR2 (0.43) TACR2TACR1
SCHEMBL5028804 0.88 TACR2 (0.45) TACR2TACR1
SCHEMBL3764734 0.88 TACR2 (0.45) TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024354-B1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2011-09-21 EP claimed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 US claimed
US-8106208-B2 Benzamide compounds that act as NK receptor antagonists ALBIREO AB (SE) 2012-01-31 US disclosed
US-8106208-B2 Benzamide compounds that act as NK receptor antagonists ALBIREO AB (SE) 2012-01-31 US disclosed
US-8106208-B2 Benzamide compounds that act as NK receptor antagonists ALBIREO AB (SE) 2012-01-31 US disclosed
EP-2024354-B1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2011-09-21 EP disclosed
EP-2024354-B1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2011-09-21 EP disclosed
WO-2007136324-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2007-11-29 WO disclosed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 US disclosed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 US disclosed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 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-20070270398-A1 New Compounds III CYP11B2, CYP11B1, SDHA TACR2 110/4885TACR1 154/4885

“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.