SCHEMBL7112402

SCHEMBL7112402

Cc1ccccc1-c1cc(Cl)ncc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.53
MYC P01106 1/20 0.49
LDHA P00338 1/20 0.48
MCL1 Q07820 1/20 0.47
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
FTO Q9C0B1 1/20 0.45
EIF4E P06730 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL7111091 0.87 GPBAR1 (0.52) GPBAR1MYCPOLQ
SCHEMBL5781412 0.84 ALDH1A1 (0.47) EIF4EKDM4EALDH1A1TSHRHPGD
SCHEMBL905344 0.84 GPBAR1 (0.50) GPBAR1FTONPC1GAARAB9A
SCHEMBL29186263 0.83 NAPRT (0.45) LDHAKDM4EALDH1A1TSHRHPGD
SCHEMBL5783181 0.82 GPBAR1 (0.53) GPBAR1LDHAKDM4EUSP2ALDH1A1
SCHEMBL3872238 0.82 EIF4E (0.47) MYCLDHAEIF4EKDM4EALDH1A1
SCHEMBL31297029 0.81 CLCN2 (0.47) EIF4EKDM4EALDH1A1HPGDDHODH
SCHEMBL7110905 0.81 GPBAR1 (0.53) GPBAR1ALDH1A1TSHRHPGDNPC1
SCHEMBL7110261 0.81 GPBAR1 (0.47) GPBAR1ALDH1A1TSHRNPC1RAB9A
SCHEMBL27541520 0.81 DDT (0.51) LDHAALDH1A1HPGDDHODHGAA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979543-B Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2024-09-24 CN disclosed
US-12071421-B2 Process for the synthesis of substituted chloromethyl dialkylphosphates HELSINN HEALTHCARE SA (CH) 2024-08-27 US disclosed
CN-111662330-B Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2023-05-12 CN disclosed
US-20220401463-A1 SUBSTITUTED 4-PHENYL-PYRIDINES HELSINN HEALTHCARE SA (CH) 2022-12-22 US disclosed
US-11312698-B2 Fosnetupitant chloride hydrochloride having improved stability HELSINN HEALTHCARE SA (CH) 2022-04-26 US disclosed
CN-112979543-A Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2021-06-18 CN disclosed
CN-112961104-A Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2021-06-15 CN disclosed
US-20200399240-A1 SUBSTITUTED 4-PHENYL-PYRIDINES HELSINN HEALTHCARE SA (CH) 2020-12-24 US disclosed
CN-111662330-A Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases 赫尔森保健股份公司 2020-09-15 CN disclosed
US-10717721-B2 Substituted piperaziniums for the treatment of emesis HELSINN HEALTHCARE SA (CH) 2020-07-21 US disclosed
EP-2785706-A1 SUBSTITUTED 4 - PHENYL - PYRIDINES FOR THE TREATMENT OF NK-1 RECEPTOR RELATED DISEASES Helsinn Healthcare SA (CH) 2014-10-08 EP disclosed
US-20130231315-A1 MODIFIED 4-PHENYL-PYRIDINE DERIVATIVES HELSINN HEALTHCARE SA (CH) 2013-09-05 US disclosed
WO-2013082102-A1 SUBSTITUTED 4 - PHENYL - PYRIDINES FOR THE TREATMENT OF NK-1 RECEPTOR RELATED DISEASES HELSINN HEALTHCARE SA (CH) 2013-06-06 WO disclosed
US-8426450-B1 Substituted 4-phenyl pyridines having anti-emetic effect HELSINN HEALTHCARE SA (CH) 2013-04-23 US disclosed
EP-1103546-B1 Process for preparation of pyridine derivatives HOFFMANN LA ROCHE (CH) 2003-10-22 EP disclosed
US-6479483-B2 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US disclosed
US-6303790-B1 REACTING SUBSTITUTED NICOTINAMIDE WITH GRIGNARD REAGENT, OXIDIZING PRODUCT, REACTING WITH HALO-SUBSTITUTED AROMATIC COMPOUND HOFFMAN-LA ROCHE INC. 2001-10-16 US disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1103546-A1 Process for preparation of pyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-05-30 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 (7 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-11312698-B2 Fosnetupitant chloride hydrochloride having improved stability FOS, FOSB, CLCN2 GPBAR1 1531/4885MYC 251/4885LDHA 2443/4885
US-20200399240-A1 SUBSTITUTED 4-PHENYL-PYRIDINES BDKRB2, BDKRB1, TACR1 GPBAR1 40/4885MYC 2502/4885LDHA 2723/4885
US-20220401463-A1 SUBSTITUTED 4-PHENYL-PYRIDINES BDKRB2, BDKRB1, TACR1 GPBAR1 40/4885MYC 2502/4885LDHA 2723/4885
US-20130231315-A1 MODIFIED 4-PHENYL-PYRIDINE DERIVATIVES BDKRB2, BDKRB1, TACR1 GPBAR1 47/4885MYC 2782/4885LDHA 2957/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS GPBAR1 327/4885MYC 3774/4885LDHA 3437/4885
US-12071421-B2 Process for the synthesis of substituted chloromethyl dialkylphosphates BDKRB1, BDKRB2, TK1 GPBAR1 349/4885MYC 1113/4885LDHA 3779/4885
US-10717721-B2 Substituted piperaziniums for the treatment of emesis VIPR2, VIPR1, GRPR GPBAR1 85/4885MYC 3980/4885LDHA 2328/4885

“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.