SCHEMBL795316

SCHEMBL795316

[c]1n[nH]c(Cc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 2/20 0.44
DAO P14920 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
CALM1 P0DP23 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
ALPL P05186 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PARP1 P09874 1/20 0.36
AR P10275 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
SCHEMBL405100 0.68 TAAR1 (0.48) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL26108941 0.68 NR1H2 (0.62) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL7385670 0.67 GAA (0.44) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL7620083 0.65 TAAR1 (0.50) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL232998 0.65 NR1H2 (0.46) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL9305710 0.65 HDAC3 (0.54) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL4494347 0.64 HPGDS (0.54) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL794787 0.64 TAAR1 (0.44) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL9978690 0.64 NR1H2 (0.44) NR1H2NR1H3DAOTAAR1CALM1
SCHEMBL5173931 0.64 NR1H2 (0.44) NR1H2NR1H3DAOTAAR1CALM1

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-10206401-B2 Pyridine compounds for controlling invertebrate pests II BASF SE (DE) 2019-02-19 US disclosed
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2018-05-03 US disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II BASF SE (DE) 2013-08-08 US disclosed
EP-2616458-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2013-07-24 EP disclosed
WO-2012034960-A1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2012-03-22 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-10206401-B2 Pyridine compounds for controlling invertebrate pests II PRXL2A, NR2C2, SHROOM3 NR1H2 858/4885NR1H3 1296/4885DAO 991/4885
US-20180116221-A1 Pyridine Compounds for Controlling Invertebrate Pests II PRXL2A, SHROOM3, NR2C2 NR1H2 900/4885NR1H3 1366/4885DAO 864/4885
US-20130203821-A1 Pyridine Compounds for Controlling Invertebrate Pests II GRIN2A, NR2C2, GRIA2 NR1H2 165/4885NR1H3 248/4885DAO 1294/4885

“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.