SCHEMBL170728

SCHEMBL170728

CCCc1c(C)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
CXCR5 P32302 3/20 0.42
NOS2 P35228 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39
PKM P14618 1/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EED O75530 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.35
HPGD P15428 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL170879 0.86 TAAR1 (0.45) ACHETSHRTAAR1KDM4ESMN1; SMN2
SCHEMBL15050026 0.84 NOS2 (0.48) ACHECXCR5NOS2TSHRTAAR1
SCHEMBL22520955 0.83 TAAR1 (0.59) ACHETAAR1PKMSMN1; SMN2
SCHEMBL170719 0.82 ACHE (0.50) ACHENOS2TSHRTAAR1PKM
Ammonia Solution, Strong SCHEMBL14719473 0.81 NOS2 (0.47) ACHECXCR5NOS2TSHRTAAR1
SCHEMBL170930 0.81 ACHE (0.44) ACHETAAR1PKMKDM4ESMN1; SMN2
SCHEMBL29257739 0.81 ACHE (0.44) ACHETSHRTAAR1PKMKDM4E
Hydrochloric Acid SCHEMBL28711794 0.79 NOS2 (0.45) ACHECXCR5NOS2TSHRTAAR1
SCHEMBL9046621 0.79 ACHE (0.43) ACHETAAR1PKMKDM4ESMN1; SMN2
SCHEMBL21612989 0.78 ACHE (0.41) ACHECXCR5TAAR1PKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442974-B1 PYRAZOLOPYRIMIDINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2023-06-07 EP disclosed
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators SYNGENE INTERNATIONAL LIMITED (IN) 2023-02-21 US disclosed
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
US-20210061802-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2021-03-04 US disclosed
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2020-04-09 US disclosed
US-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2017-05-04 US disclosed
WO-2015131035-A1 ADOPTIVE CELLULAR THERAPY USING AN AGONIST OF RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR GAMMA & RELATED THERAPEUTIC METHODS LYCERA CORPORATION (US) 2015-09-03 WO disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed
EP-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP 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 (4 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-20170121320-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ACHE 2609/4885CXCR5 667/4885NOS2 2918/4885
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators DGKZ, DGKA, DGKG ACHE 3397/4885CXCR5 1176/4885NOS2 4053/4885
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG ACHE 3866/4885CXCR5 1072/4885NOS2 2784/4885
US-20210061802-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG ACHE 3397/4885CXCR5 1176/4885NOS2 4053/4885

“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.