SCHEMBL17848431

SCHEMBL17848431

C[C]1CCN(CCOc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.61
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LTA4H P09960 1/20 0.57
PTGS2 P35354 1/20 0.57
HTR1A P08908 3/20 0.54
HTR7 P34969 3/20 0.54
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.49
HTR2A P28223 3/20 0.45
HTR2C P28335 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL17848474 0.86 DRD2 (0.58) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL14970707 0.84 LTA4H (0.73) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL17848348 0.84 LTA4H (0.73) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL14969001 0.83 LTA4H (0.71) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL17848618 0.82 HTR1A (0.61) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL7601343 0.82 HTR2C (0.60) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL17848640 0.81 DRD2 (0.56) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL17848384 0.80 DRD2 (0.71) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL17848636 0.80 HTR7 (0.61) DRD2CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL17848612 0.79 DRD2 (0.77) DRD2CYP1A2CYP2D6CYP2C19HSD17B10

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
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 US disclosed
EP-3233077-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP disclosed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 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 (4 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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 DRD2 1/4885CYP1A2 3044/4885CYP2D6 2383/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 DRD2 1/4885CYP1A2 2904/4885CYP2D6 2262/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 DRD2 1/4885CYP1A2 1871/4885CYP2D6 1219/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 DRD2 1/4885CYP1A2 1871/4885CYP2D6 1219/4885

“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.