SCHEMBL4428997

SCHEMBL4428997

Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cc(F)cc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
HTR1D P28221 19/20 1.00
HTR1B P28222 18/20 1.00
HTR7 P34969 7/20 1.00
DRD3 P35462 7/20 1.00
ADRB1 P08588 6/20 1.00
DRD2 P14416 6/20 1.00
HTR2A P28223 5/20 1.00
HTR2C P28335 4/20 1.00
HTR2B P41595 4/20 1.00
HTR6 P50406 1/20 0.87
SLC6A4 P31645 2/20 0.67

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
SCHEMBL14565044 0.90 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL6832015 0.87 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5344886 0.87 HTR1A (0.77) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL6826131 0.86 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL6833678 0.83 HTR1A (0.96) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5213744 0.82 HTR1A (0.85) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL14564979 0.82 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL6828921 0.81 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5216805 0.80 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL29388787 0.80 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO disclosed
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 HTR1A 971/4885HTR1D 958/4885HTR1B 424/4885

“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.