SCHEMBL4359138

SCHEMBL4359138

Clc1cccnc1-c1ccc2c(Cl)ccnc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.43
MAPK3 P27361 1/20 0.39
RPS6KA5 O75582 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
NR4A2 P43354 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL4362025 0.86 METAP2 (0.41) TRPV1MAPK3CCR1CCR8L3MBTL1
SCHEMBL4358042 0.83 TRPV1 (0.62) TRPV1MAPK3HCAR2
SCHEMBL22121720 0.81 TRPV1 (0.35) TRPV1NR4A2CCR1CCR8L3MBTL1
SCHEMBL22127663 0.79 KDM4E (0.50) CCR1CCR8L3MBTL1KDM4ELMNA
SCHEMBL31463007 0.79 KDM4E (0.50) CCR1CCR8L3MBTL1KDM4ELMNA
SCHEMBL2968852 0.77 ADORA1 (0.50) L3MBTL1HSP90AA1
SCHEMBL1861926 0.76 TRPV1 (0.35) TRPV1MAPK3
SCHEMBL2650370 0.75 HSP90AA1 (0.50) HSP90AA1MAPT
SCHEMBL2323949 0.74 KDM4E (0.48) NR4A2CCR1CCR8L3MBTL1KDM4E
SCHEMBL4362010 0.73 TRPV1 (0.79) TRPV1MAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
CN-1820008-A Substituted quinolin-4-ylamine analogues NEUROGEN CORP (US) 2006-08-16 CN disclosed
EP-1644372-A2 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-04-12 EP disclosed
US-20050070547-A1 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION 2005-03-31 US disclosed
WO-2005007652-A2 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2005-01-27 WO 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 (2 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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 TRPV1 279/4885MAPK3 3351/4885RPS6KA5 986/4885
US-20050070547-A1 Substituted quinolin-4-ylamine analogues PIGS, HRH4, GPR52 TRPV1 281/4885MAPK3 3441/4885RPS6KA5 1042/4885

“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.