SCHEMBL3093221

SCHEMBL3093221

O=C(c1ccc(Cl)c(Br)c1)N1CC(O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.52
LSS P48449 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
FAAH O00519 1/20 0.41
CXCR3 P49682 1/20 0.41

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
SCHEMBL13157758 1.00 GPR183 (0.52) GPR183LSSMEN1KMT2AHRH3
SCHEMBL5815189 0.94 GPR183 (0.46) GPR183LSSMEN1KMT2AHRH3
SCHEMBL3102661 0.89 MGLL (0.44) GPR183KMT2A
SCHEMBL13157740 0.89 MGLL (0.44) GPR183KMT2A
SCHEMBL3099674 0.89 MGLL (0.44) GPR183KMT2A
SCHEMBL13157953 0.89 MGLL (0.44) GPR183KMT2A
SCHEMBL3099510 0.88 GPR183 (0.58) GPR183LSSHRH3
SCHEMBL13158155 0.88 GPR183 (0.58) GPR183LSSHRH3
SCHEMBL13157665 0.88 GPR183 (0.58) GPR183LSSHRH3
SCHEMBL13157779 0.88 GPR183 (0.50) GPR183LSSHRH3FAAH

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-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100197922-A1 AZABICYCLOALKANE COMPOUNDS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7732441-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2010-06-08 US disclosed
US-20080139603-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-12 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 (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-20080139603-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA2B GPR183 136/4885LSS 2096/4885MEN1 3570/4885
US-20100197922-A1 AZABICYCLOALKANE COMPOUNDS ADRB1, ADRB2, ADRA2B GPR183 136/4885LSS 2096/4885MEN1 3570/4885
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 GPR183 72/4885LSS 3057/4885MEN1 2336/4885

“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.