SCHEMBL3782772

SCHEMBL3782772

CCN(C(=O)OCc1ccccc1)C1Cc2ccc(Br)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.45
GPBAR1 Q8TDU6 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL3782766 1.00 CCR5 (0.45) CCR5GPBAR1TMEM97
SCHEMBL3786187 0.86 CCR5 (0.45) CCR5TMEM97
SCHEMBL3786192 0.86 CCR5 (0.45) CCR5TMEM97
SCHEMBL3776626 0.81 CCR5 (0.43) CCR5TMEM97
SCHEMBL3776628 0.81 CCR5 (0.43) CCR5TMEM97
SCHEMBL13434086 0.79 CCR5 (0.59) CCR5
SCHEMBL19540968 0.78 TMEM97 (0.56) TMEM97
SCHEMBL1591952 0.78 CTSD (0.42) TMEM97
SCHEMBL1591950 0.78 CTSD (0.42) TMEM97
SCHEMBL8008172 0.77 ALDH1A1 (0.45)

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-2254876-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS AstraZeneca AB (SE) 2010-12-01 EP claimed
WO-2009105026-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS ASTRAZENECA AB (SE) 2009-08-27 WO claimed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 US claimed
EP-2254876-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS AstraZeneca AB (SE) 2010-12-01 EP disclosed
WO-2009105026-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS ASTRAZENECA AB (SE) 2009-08-27 WO disclosed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 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-20090215841-A1 D2 Receptor Ligand-078 TACR2, TACR1, GPR174 CCR5 167/4885GPBAR1 106/4885TMEM97 122/4885

“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.