SCHEMBL23545652

SCHEMBL23545652

FCCNCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.51
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 1/20 0.46
DNM1 Q05193 1/20 0.44
MTOR P42345 1/20 0.44
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
MAOB P27338 1/20 0.43
IDO1 P14902 2/20 0.42
PHGDH O43175 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPRZ1 P23471 1/20 0.41
CHRM2 P08172 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8350245 0.86 TAAR1 (0.57) SCN8ATAAR1ALDH1A1MTORKCNH2
SCHEMBL1436108 0.85 PTPN1 (0.54) SCN8ATAAR1ALDH1A1DNM1MTOR
SCHEMBL10873793 0.83 SCN8A (0.55) SCN8ATAAR1ALDH1A1MAOBIDO1
SCHEMBL8446318 0.82 SCN8A (0.54) SCN8ATAAR1ALDH1A1MTORKCNH2
SCHEMBL1846372 0.82 SMN1; SMN2 (0.50) SCN8ATAAR1ALDH1A1DNM1MTOR
SCHEMBL16794563 0.82 MAOB (0.59) SCN8ATAAR1ALDH1A1MAOBIDO1
Hydrochloric Acid SCHEMBL8446020 0.81 SCN8A (0.52) SCN8AALDH1A1MTORKCNH2TMEM97
SCHEMBL11935651 0.80 SCN8A (0.52) SCN8ATAAR1MAOBCHRM2
SCHEMBL13965833 0.79 SCN8A (0.51) SCN8ATAAR1ALDH1A1MTORKCNH2
SCHEMBL3960489 0.79 SCN8A (0.58) SCN8AALDH1A1KCNH2TMEM97CHRM2

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-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-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS ALMIRALL, S.A. (ES) 2021-06-24 US disclosed
WO-2021124279-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NUEVOLUTION A/S (DK) 2021-06-24 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 SCN8A 2603/4885TAAR1 1091/4885ALDH1A1 1638/4885
US-20230271937-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SCN8A 2603/4885TAAR1 1091/4885ALDH1A1 1638/4885
US-20210188807-A1 COMPOUNDS ACTIVE TOWARDS NUCLEAR RECEPTORS NCOA1, NR1H2, NCOA3 SCN8A 2603/4885TAAR1 1091/4885ALDH1A1 1638/4885

“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.