SCHEMBL2312465

SCHEMBL2312465

CC(=O)Nc1ccc2c(c1)CCN(C(=O)O)CC2C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
BAZ2B Q9UIF8 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ACLY P53396 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 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
SCHEMBL5242804 0.91 NPC1 (0.35) HTR1AHTR2ARAB9ANPC1
SCHEMBL5556540 0.88 RAB9A (0.44) HTR1AALDH1A1RAB9AMEN1KMT2A
SCHEMBL5244515 0.86 ALOX5 (0.35) HTR1ARAB9ANPC1
SCHEMBL4770219 0.85 NPC1 (0.47) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL6223683 0.85 PLA2G7 (0.42) SMN1; SMN2
SCHEMBL4767049 0.84 PKM (0.47) RAB9ASMN1; SMN2
SCHEMBL2124644 0.82 ESR2 (0.45)
SCHEMBL19638276 0.81 CAMK2A (0.41)
SCHEMBL4637682 0.81 NR1H2 (0.46) HTR1AHTR2ABAZ2B
SCHEMBL5789058 0.79 POLB (0.52) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751163-B1 BENZAZEPINE COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF GLAXO GROUP LTD (GB) 2011-08-10 EP disclosed
US-7989444-B2 Compounds having affinity for dopamine D3 receptor and uses thereof GLAXO GROUP LIMITED (GB) 2011-08-02 US disclosed
US-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-10-30 US disclosed
EP-1773844-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006002928-A1 COMPOUNDS HAVING AFFINITY FOR THE DOPAMINE D3 RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-01-12 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 (2 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-20100016287-A1 COMPOUNDS HAVING AFFINITY FOR DOPAMINE D3 RECEPTOR AND USES THEREOF\ DRD3, DRD2, SLC6A3 HTR1A 66/4885HTR2A 106/4885ALDH1A1 941/4885
US-20080269195-A1 Compounds Having Affinity For the Dopamine D3 Receptor and Uses Thereof in Medicine DRD3, SLC6A3, DRD2 HTR1A 142/4885HTR2A 220/4885ALDH1A1 1007/4885

“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.