Sugi Predict

Sugi Predict / Compounds / SCHEMBL6636701

SCHEMBL6636701

SCHEMBL6636701

Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1NC(=O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 8/20 0.55
▸ CYP1A2 P05177 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CSF1R P07333 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ SMO Q99835 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTR3A P46098 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL17241145 0.89 CYP1A2 (0.54) TACR1CYP1A2L3MBTL1CSF1RALDH1A1
SCHEMBL6638572 0.88 CYP1A2 (0.51) TACR1CYP1A2ALDH1A1SMOMEN1
SCHEMBL4374612 0.88 TACR1 (0.43) TACR1L3MBTL1CSF1RALDH1A1SMO
SCHEMBL4672501 0.88 TACR1 (0.55) TACR1CYP1A2ALDH1A1CYP2C19MAPT
SCHEMBL13686266 0.87 SMO (0.46) TACR1CYP1A2L3MBTL1ALDH1A1SMO
SCHEMBL7109338 0.86 CYP1A2 (0.51) TACR1CYP1A2L3MBTL1CSF1RALDH1A1
SCHEMBL27884859 0.85 TACR1 (0.41) TACR1CYP1A2L3MBTL1ALDH1A1CYP2C19
SCHEMBL13686268 0.85 RAB9A (0.46) TACR1L3MBTL1ALDH1A1HTR3ABRD4
SCHEMBL28171593 0.85 TACR1 (0.51) TACR1CYP1A2L3MBTL1CSF1RALDH1A1
SCHEMBL25310843 0.83 TACR1 (0.49) TACR1CYP1A2L3MBTL1CSF1RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118275597-A High performance liquid chromatography detection method for fosnetupitant chloride hydrochloride bulk drug and impurities 山东齐都药业有限公司 2024-07-02 — — CN claimed
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 claimed
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 claimed
CN-104053652-A Substituted 4-phenylpyridines for the treatment of NK-1 receptor related diseases HELSINN HEALTHCARE SA 2014-09-17 — — CN claimed
CN-118275597-A High performance liquid chromatography detection method for fosnetupitant chloride hydrochloride bulk drug and impurities 山东齐都药业有限公司 2024-07-02 — — CN disclosed
CN-118026957-A Three-component coupling method for aromatic trifluoroalkyl compound, conjugated olefin and nucleophilic reagent 国科大杭州高等研究院 2024-05-14 — — CN disclosed
CN-106421793-B Compositions and methods for treating centrally mediated nausea and vomiting 赫尔森保健股份公司 2023-06-16 — — CN 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
CN-115427033-A NK-1 receptor antagonists for the treatment of a disease selected from sepsis, septic shock, acute Respiratory Distress Syndrome (ARDS) or Multiple Organ Dysfunction Syndrome (MODS) 尼尔医疗有限公司 2022-12-02 — — CN disclosed
CN-109310627-B Physiological equilibrium injection preparation of forrestituitan 赫尔森保健股份公司 2021-12-14 — — CN disclosed
CN-113164424-A Compositions and uses for treating parkinson's disease and related disorders 才思治疗公司 2021-07-23 — — CN 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
EP-1035115-B1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2004-09-29 — — EP disclosed
CN-1142144-C 4-phenyl pyridine derivatives - 2004-03-17 — — CN disclosed
EP-1394150-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2004-03-03 — — 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-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 — — US disclosed
CN-1270959-A 4-phenyl pyridine derivatives HOFFMANN LA ROCHE (CH) 2000-10-25 — — CN disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 — — 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 (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-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS TACR1 534/4885CYP1A2 1297/4885L3MBTL1 1978/4885

“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.