SCHEMBL21729631

SCHEMBL21729631

CC(F)(F)c1ccc(CNC2CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
BACE1 P56817 6/20 0.50
BCHE P06276 5/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
TEAD1 P28347 1/20 0.47
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.43
GRIN2B Q13224 1/20 0.42
PHGDH O43175 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 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
SCHEMBL2730914 0.85 KDM1A (0.54) ACHEBACE1BCHEMEN1RAB9A
SCHEMBL5556152 0.85 BCHE (0.64) ACHEBACE1BCHEMEN1RAB9A
Hydrochloric Acid SCHEMBL218521 0.84 BCHE (0.62) ACHEBACE1BCHEMEN1RAB9A
SCHEMBL25683753 0.83 TEAD1 (0.46) ACHEBACE1BCHEMEN1RAB9A
SCHEMBL24258285 0.82 BCHE (0.50) ACHEBACE1BCHEMEN1RAB9A
SCHEMBL10073807 0.80 MEN1 (0.69) ACHEBACE1BCHEMEN1RAB9A
SCHEMBL9782901 0.79 KDM1A (0.49) ACHEBACE1BCHEMEN1RAB9A
SCHEMBL23545594 0.79 TEAD1 (0.48) ACHEBACE1BCHEMEN1RAB9A
SCHEMBL9782907 0.79 KDM1A (0.49) ACHEBACE1BCHEMEN1RAB9A
SCHEMBL19650799 0.79 BCHE (0.61) ACHEBACE1BCHEMEN1RAB9A

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
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2023-08-31 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-11685727-B2 Compounds active towards nuclear receptors NUEVOLUTION A/S (DK) 2023-06-27 US disclosed
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS ALMIRALL, S.A. (ES) 2021-06-24 US disclosed
WO-2020035556-A1 NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2020-02-20 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 (3 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-11685727-B2 Compounds active towards nuclear receptors NCOA1, NR1H2, NCOA3 ACHE 3355/4885BACE1 2353/4885BCHE 3363/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 ACHE 3355/4885BACE1 2353/4885BCHE 3363/4885
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 ACHE 3355/4885BACE1 2353/4885BCHE 3363/4885

“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.