SCHEMBL649523

SCHEMBL649523

CCCCN(Cc1cccc(C(F)(F)F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
C5AR1 P21730 1/20 0.44
CRHR1 P34998 3/20 0.44
TRPV4 Q9HBA0 4/20 0.39
TSHR P16473 1/20 0.39
ADORA2B P29275 2/20 0.38
TLR8 Q9NR97 1/20 0.38
NPY1R P25929 1/20 0.38
NPY5R Q15761 1/20 0.38
CNR2 P34972 1/20 0.38
BCHE P06276 1/20 0.38
P2RX3 P56373 1/20 0.37
MDM2 Q00987 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL5137122 0.96 MEN1 (0.46) MEN1KMT2AC5AR1CRHR1TRPV4
SCHEMBL5134817 0.95 CRHR1 (0.43) MEN1KMT2AC5AR1CRHR1TRPV4
SCHEMBL650105 0.94 C5AR1 (0.46) MEN1KMT2AC5AR1CRHR1TRPV4
SCHEMBL5136743 0.93 C5AR1 (0.45) MEN1KMT2AC5AR1CRHR1TRPV4
SCHEMBL650550 0.92 C5AR1 (0.44) C5AR1CRHR1TSHR
SCHEMBL648166 0.90 C5AR1 (0.43) MEN1KMT2AC5AR1CRHR1TRPV4
SCHEMBL5135363 0.89 C5AR1 (0.44) C5AR1CRHR1TSHRMDM2
SCHEMBL647725 0.89 C5AR1 (0.41) C5AR1CRHR1TSHRMDM2
SCHEMBL5134515 0.89 C5AR1 (0.46) MEN1KMT2AC5AR1CRHR1TSHR
SCHEMBL5134666 0.88 C5AR1 (0.47) MEN1KMT2AC5AR1CRHR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
US-7186734-B2 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION (US) 2007-03-06 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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 (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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 MEN1 3436/4885KMT2A 3598/4885C5AR1 2/4885

“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.