SCHEMBL2964566

SCHEMBL2964566

FC(F)(F)c1nnc(N2CCC3CCCN3C2)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.39
▸ L3MBTL3 Q96JM7 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MBTD1 Q05BQ5 1/20 0.37
▸ AXL P30530 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ CSNK1D P48730 3/20 0.34
▸ MAPK14 Q16539 3/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL2954842 0.85 HRH3 (0.45) HRH3CSNK1DMAPK14HPGDHSD17B10
SCHEMBL2954143 0.73 MAPK14 (0.60) GLACSNK1DMAPK14MAPK11
Hydrochloric Acid SCHEMBL2955401 0.72 MAPK14 (0.58) CSNK1DMAPK14MAPK11
SCHEMBL2958555 0.71 HPGD (0.40) GLACSNK1DMAPK14MAPK11HPGD
SCHEMBL2957272 0.71 HPGD (0.40) GLACSNK1DMAPK14MAPK11HPGD
SCHEMBL2957347 0.71 KDM4E (0.46) HRH3GLACSNK1DMAPK14MAPK11
SCHEMBL2957199 0.67 HTR7 (0.41) L3MBTL1CSNK1DMAPK14HSD17B10RAB9A
SCHEMBL27786505 0.66 CSNK1D (0.40) CSNK1DMAPK14MAPK11HPGDHSD17B10
SCHEMBL2958371 0.65 CKS1B (0.55) —
Tert-Butyl Formate SCHEMBL27786506 0.65 MAPK14 (0.48) CSNK1DMAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422296-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2016-08-23 — — US disclosed
US-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 — — US disclosed
US-8791120-B2 Fast-dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2010-03-18 — — 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 (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-20140336381-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HRH3 1131/4885L3MBTL3 4426/4885L3MBTL1 4200/4885
US-20100069394-A1 FAST-DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A HRH3 1131/4885L3MBTL3 4426/4885L3MBTL1 4200/4885

“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.

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