SCHEMBL16486704

SCHEMBL16486704

O=C(NC1CCC1c1ncccc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.49
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
GRM4 Q14833 2/20 0.40
PTGES O14684 2/20 0.39
P2RX7 Q99572 1/20 0.39
SLC6A9 P48067 1/20 0.39
PPIA P62937 1/20 0.38

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
SCHEMBL16512738 1.00 HCRTR1 (0.49) HCRTR1LMNAGAAMEN1KMT2A
SCHEMBL17863660 1.00 HCRTR1 (0.49) HCRTR1LMNAGAAMEN1KMT2A
SCHEMBL20747142 1.00 HCRTR1 (0.49) HCRTR1LMNAGAAMEN1KMT2A
SCHEMBL16486620 1.00 HCRTR1 (0.49) HCRTR1LMNAGAAMEN1KMT2A
SCHEMBL17863662 0.85 HCRTR1 (0.50) HCRTR1LMNAGAATAS1R3TAS1R1
SCHEMBL16486932 0.85 HCRTR1 (0.50) HCRTR1LMNAGAATAS1R3TAS1R1
SCHEMBL16512784 0.85 HCRTR1 (0.50) HCRTR1LMNAGAATAS1R3TAS1R1
SCHEMBL17598752 0.83 HCRTR1 (0.51) HCRTR1LMNAGAATAS1R3TAS1R1
SCHEMBL16486890 0.82 HCRTR1 (0.53) HCRTR1LMNAGAATAS1R3TAS1R1
SCHEMBL20747118 0.82 HCRTR1 (0.53) HCRTR1LMNAGAATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10207985-B2 Compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-02-19 US disclosed
EP-3033330-B1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-09-19 EP disclosed
US-20160176806-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-23 US disclosed
EP-3033330-A2 NOVEL COMPOUNDS Syngenta Participations AG (CH) 2016-06-22 EP disclosed
WO-2015022265-A2 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-02-19 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 (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-20160176806-A1 NOVEL COMPOUNDS SGMS1, DDT, CYP1B1 HCRTR1 230/4885LMNA 2782/4885GAA 626/4885
US-10207985-B2 Compounds CYP1B1, DDT, CYP1A1 HCRTR1 233/4885LMNA 1800/4885GAA 332/4885

“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.