SCHEMBL13201190

SCHEMBL13201190

FC(F)(F)c1ccc2c(C3CCNCC3)csc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
P2RY14 Q15391 4/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR6 P50406 1/20 0.38
MAPK1 P28482 1/20 0.37
DRD5 P21918 3/20 0.37
TMEM97 Q5BJF2 3/20 0.37
HTR1A P08908 2/20 0.37
ADRB3 P13945 2/20 0.37
ADRA2B P18089 2/20 0.37
DRD1 P21728 2/20 0.37
SLC6A2 P23975 2/20 0.37
AGTR1 P30556 2/20 0.37
ADRA1B P35368 2/20 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
Bromide SCHEMBL2955457 0.99 HTR2C (0.48) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7468044 0.81 SLC6A2 (0.44) POLBHTR6HTR1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL1673605 0.80 SLC6A2 (0.43) HTR2CHTR6HTR1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL2957745 0.77 HTR2C (0.39) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14573110 0.77 SLC6A2 (0.40) HTR2CHTR6HTR1ASLC6A2SLC6A3
SCHEMBL8819825 0.75 SLC6A4 (0.41) HTR2CHTR6HTR1ASLC6A2SLC6A3
SCHEMBL4676658 0.74 SLC6A4 (0.55) HTR2CMEN1KMT2AHTR6HTR1A
SCHEMBL29868908 0.74 SLC6A4 (0.55) HTR2CMEN1KMT2AHTR6HTR1A
SCHEMBL2959717 0.74 CTSS (0.42) P2RY14SLC6A4
SCHEMBL7867737 0.73 APP (0.58) HTR2CMEN1POLBKMT2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-7772252-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2010-08-10 US disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-10-01 US disclosed
US-7550469-B2 Heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-06-23 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
US-7521445-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2009-04-21 US disclosed
EP-1632483-B1 HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS AVENTIS PHARMA INC (US) 2008-10-29 EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-06-21 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 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-20070142351-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 HTR2C 22/4885CHRNB2 371/4885CHRNA4 125/4885
US-20090247509-A1 Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands DRD3, DRD2, HTR3C HTR2C 20/4885CHRNB2 417/4885CHRNA4 169/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C HTR2C 17/4885CHRNB2 427/4885CHRNA4 171/4885

“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.