SCHEMBL905365

SCHEMBL905365

CCCN1CCN(c2cc(-c3ccccc3C)c(C(=O)NC)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.49
PTPN11 Q06124 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
CYP11B2 P19099 1/20 0.41
SMO Q99835 3/20 0.40
CYP1A2 P05177 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
DRD4 P21917 2/20 0.39
SMYD2 Q9NRG4 3/20 0.39
PIK3CD O00329 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
DRD1 P21728 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL905364 0.88 TACR1 (0.57) TACR1L3MBTL1SMOCYP1A2GPBAR1
SCHEMBL905356 0.86 TACR1 (0.44) TACR1L3MBTL1CYP11B2SMOPARP1
SCHEMBL7137826 0.84 TACR1 (0.47) TACR1L3MBTL1SMOCYP1A2GPBAR1
SCHEMBL905379 0.83 CYP1A2 (0.54) TACR1CYP1A2PIK3CD
SCHEMBL905377 0.83 TACR1 (0.45) TACR1PTPN11L3MBTL1SMOCYP1A2
SCHEMBL6286992 0.81 PTPN11 (0.50) PTPN11
SCHEMBL4672291 0.80 TACR1 (0.43) TACR1L3MBTL1SMO
SCHEMBL905329 0.79 CKS1B (0.48) TACR1PTPN11SMO
SCHEMBL7558999 0.79 TACR1 (0.56) TACR1L3MBTL1CYP1A2
SCHEMBL905384 0.76 TACR1 (0.85) TACR1GPBAR1

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
EP-1394150-B1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2011-01-19 EP 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
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 534/4885PTPN11 708/4885L3MBTL1 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.