SCHEMBL17598752

SCHEMBL17598752

O=C(N[C@@H]1CC[C@@H]1c1c(Cl)cccc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.51
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
TAS1R2 Q8TE23 4/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
PTGS1 P23219 1/20 0.43
P2RX7 Q99572 2/20 0.43
PPIA P62937 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MGLL Q99685 1/20 0.41
DPP4 P27487 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL17598751 0.86 HCRTR1 (0.52) HCRTR1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL17598770 0.86 P2RX7 (0.50) HCRTR1TAS1R3TAS1R1TAS1R2GAA
SCHEMBL15295032 0.84 HCRTR1 (0.45) HCRTR1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL16451641 0.84 HCRTR1 (0.45) HCRTR1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL16451640 0.84 HCRTR1 (0.45) HCRTR1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL17799670 0.84 HCRTR1 (0.45) HCRTR1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL15295033 0.84 HCRTR1 (0.45) HCRTR1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL16220964 0.83 HCRTR1 (0.51) HCRTR1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL16211716 0.83 HCRTR1 (0.51) HCRTR1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL16220800 0.83 HCRTR1 (0.51) HCRTR1TAS1R3TAS1R1TAS1R2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 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 (1 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-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA HCRTR1 1170/4885TAS1R3 2259/4885TAS1R1 2629/4885

“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.