SCHEMBL3844685

SCHEMBL3844685

Fc1ccc(C(F)(F)F)cc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.56
NCF1 P14598 1/20 0.56
HTR2C P28335 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HTR3A P46098 2/20 0.55
HTR1D P28221 2/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
ADRB1 P08588 2/20 0.53
HTR1A P08908 2/20 0.49
FFAR4 Q5NUL3 1/20 0.47
SOS1 Q07889 1/20 0.45
HTR6 P50406 1/20 0.44
IDH2 P48735 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL29607911 1.00 ADRB2 (0.56) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL1470389 0.87 ADRB2 (0.56) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL30511066 0.87 ADRB2 (0.56) ADRB2NCF1HTR2CALDH1A1HTR3A
Hydrochloric Acid SCHEMBL31590331 0.85 MAPT (0.56) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL18308981 0.85 HTR3A (0.48) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL19403771 0.83 ADRB2 (0.56) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL8257492 0.83 OPRD1 (0.43) ADRB2NCF1ALDH1A1HTR3AHTR3E
Hydrochloric Acid SCHEMBL19385636 0.82 MAPT (0.56) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL19385666 0.82 ADRB2 (0.55) ADRB2NCF1HTR2CALDH1A1HTR3A
SCHEMBL3919469 0.82 ADRB2 (0.55) ADRB2NCF1HTR2CALDH1A1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409621-B Targeted dopamine D 3 Diagnosis and treatment medicine for receptor and application thereof 江苏省原子医学研究所 2023-09-08 CN disclosed
CN-114409621-A Targeted dopamine D3Receptor diagnosis and treatment medicine and application thereof 江苏省原子医学研究所 2022-04-29 CN disclosed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 ADRB2 56/4885NCF1 2774/4885HTR2C 172/4885

“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.