SCHEMBL6633751

SCHEMBL6633751

CNc1cnc(N2CCN(C)CC2)cc1-c1ccccc1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.57
HTR3A P46098 3/20 0.51
CYP2C19 P33261 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 2/20 0.51
TACR1 P25103 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAP4K1 Q92918 1/20 0.42
HRH4 Q9H3N8 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 0.86 CYP1A2 (0.54) CYP1A2HTR3ACYP2C19KMT2ACYP3A4
SCHEMBL4670474 0.86 CNR2 (0.51) CYP1A2CYP2C19KMT2ACYP3A4MEN1
SCHEMBL4374064 0.86 CYP1A2 (0.41) CYP1A2HTR3ACYP2C19KMT2ACYP3A4
SCHEMBL17231783 0.85 CYP1A2 (0.64) CYP1A2HTR3ACYP2C19KMT2ACYP3A4
SCHEMBL12097112 0.84 SMO (0.56) CYP1A2ALDH1A1CYP2D6TACR1LMNA
SCHEMBL7109338 0.83 CYP1A2 (0.51) CYP1A2HTR3ACYP2C19KMT2ACYP3A4
SCHEMBL6636701 0.83 TACR1 (0.55) CYP1A2HTR3ACYP2C19KMT2ACYP3A4
SCHEMBL28171593 0.83 TACR1 (0.51) CYP1A2HTR3ACYP2C19KMT2ACYP3A4
SCHEMBL6637361 0.82 CYP1A2 (0.60) CYP1A2HTR3ACYP2C19KMT2ACYP3A4
SCHEMBL31121832 0.82 CYP1A2 (0.60) CYP1A2HTR3ACYP2C19KMT2ACYP3A4

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 72 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-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
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-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
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
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 (5 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 CYP1A2 4146/4885HTR3A 876/4885CYP2C19 1713/4885
US-20200399240-A1 SUBSTITUTED 4-PHENYL-PYRIDINES BDKRB2, BDKRB1, TACR1 CYP1A2 1335/4885HTR3A 85/4885CYP2C19 1350/4885
US-20220401463-A1 SUBSTITUTED 4-PHENYL-PYRIDINES BDKRB2, BDKRB1, TACR1 CYP1A2 1335/4885HTR3A 85/4885CYP2C19 1350/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS CYP1A2 1297/4885HTR3A 1182/4885CYP2C19 3443/4885
US-12071421-B2 Process for the synthesis of substituted chloromethyl dialkylphosphates BDKRB1, BDKRB2, TK1 CYP1A2 2649/4885HTR3A 1321/4885CYP2C19 1210/4885

“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.