SCHEMBL16212095

SCHEMBL16212095

O=C(N[C@@H]1CC[C@@H]1c1ccccc1Cl)c1ncccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.40
▸ HCRTR1 O43613 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CFD P00746 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL16211767 1.00 P2RX7 (0.40) P2RX7HCRTR1MEN1KMT2AALDH1A1
SCHEMBL16211769 1.00 P2RX7 (0.40) P2RX7HCRTR1MEN1KMT2AALDH1A1
SCHEMBL16371852 0.88 P2RX7 (0.44) P2RX7HCRTR1ALDH1A1GRM5SMN1; SMN2
SCHEMBL17799684 0.88 P2RX7 (0.44) P2RX7HCRTR1ALDH1A1GRM5SMN1; SMN2
SCHEMBL17799744 0.84 TLR7 (0.40) HCRTR1KDM4EGRM5
SCHEMBL17799746 0.83 MC1R (0.45) P2RX7HCRTR1KMT2AGAA
SCHEMBL17799639 0.78 GRM5 (0.55) P2RX7HCRTR1ALDH1A1GRM5SMN1; SMN2
SCHEMBL17799652 0.78 HCRTR1 (0.45) P2RX7HCRTR1ALDH1A1GRM5SMN1; SMN2
SCHEMBL16372105 0.78 GRM5 (0.55) P2RX7HCRTR1ALDH1A1GRM5SMN1; SMN2
SCHEMBL28050006 0.76 SLC9A1 (0.45) P2RX7CFDSMN1; SMN2MALT1

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-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 — — US disclosed
EP-2991487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-03-09 — — EP disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 — — WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 — — 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 (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 P2RX7 478/4885HCRTR1 1170/4885MEN1 4839/4885

“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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