SCHEMBL905342

SCHEMBL905342

CNC(=O)c1ccc(N2CCN(C)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.57
HDAC2 Q92769 6/20 0.56
HDAC3 O15379 5/20 0.56
DYRK1A Q13627 3/20 0.54
PARP1 P09874 2/20 0.54
HRH3 Q9Y5N1 1/20 0.53
HDAC10 Q969S8 2/20 0.53
WNT1 P04628 1/20 0.52
CLK2 P49760 1/20 0.52
CLK3 P49761 1/20 0.52
GSK3B P49841 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL30175325 0.88 UBE2T (0.56) RAB9ASMN1; SMN2PARP1HRH3NPC1
SCHEMBL5638622 0.87 RAB9A (0.60) RAB9AL3MBTL1SMN1; SMN2HDAC2HDAC3
SCHEMBL21776925 0.84 RAB9A (0.59) RAB9AL3MBTL1SMN1; SMN2HDAC2HDAC3
SCHEMBL24592171 0.84 HRH3 (0.48) RAB9AL3MBTL1SMN1; SMN2HDAC2HDAC3
SCHEMBL7679197 0.84 ALDH1A1 (0.66) RAB9ASMN1; SMN2PARP1HRH3HDAC10
SCHEMBL6117108 0.83 RAB9A (0.58) RAB9AL3MBTL1SMN1; SMN2HDAC2HDAC3
SCHEMBL1329870 0.83 RAB9A (0.58) RAB9AL3MBTL1SMN1; SMN2HDAC2HDAC3
SCHEMBL30665072 0.83 RAB9A (0.58) RAB9AL3MBTL1SMN1; SMN2HDAC2HDAC3
SCHEMBL5759243 0.83 HRH3 (0.59) RAB9ASMN1; SMN2PARP1HRH3NPC1
Hydrochloric Acid SCHEMBL26633196 0.83 HPGDS (0.55) RAB9AHDAC2HDAC3PARP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023649-A1 ANDROGEN RECEPTOR BINDING BIFUNCTIONAL MOLECULES Industrial Technology Research Institute (TW) 2022-07-06 EP disclosed
EP-1394150-B1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
EP-1856052-B1 NK1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-09-02 EP disclosed
US-7176205-B2 Bi-pyridinyl derivatives as NK-1 antagonists HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
US-7176205-B2 Bi-pyridinyl derivatives as NK-1 antagonists HOFFMANN-LA ROCHE INC. (US) 2007-02-13 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
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 RAB9A 2854/4885L3MBTL1 1978/4885SMN1; SMN2 3866/4885

“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.