SCHEMBL649690

SCHEMBL649690

CCCCN(Cc1ccc2nccnc2c1)Cc1c(Cl)nc(-c2ccccc2C)n1CCCC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.34
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL651294 0.83 BCHE (0.40) CRHR1MEN1KMT2ABCHEHRH3
SCHEMBL650098 0.82 MEN1 (0.36) CRHR1KDM4EMEN1KMT2ABCHE
SCHEMBL650047 0.82 C5AR1 (0.44) CRHR1LMNAMEN1KMT2ABCHE
SCHEMBL650987 0.82 CALM1 (0.41) CRHR1BCHE
SCHEMBL651216 0.81 CRHR1 (0.34) CRHR1KDM4ELMNAMEN1KMT2A
SCHEMBL651053 0.80 CA2 (0.40) CRHR1
SCHEMBL5181418 0.80 SMPD1 (0.40) CRHR1LMNA
SCHEMBL652209 0.78 MEN1 (0.37) CRHR1LMNAMEN1KMT2A
SCHEMBL650495 0.77 C5AR1 (0.52) KDM4ELMNAKMT2ANPSR1
SCHEMBL5181407 0.77 SMPD1 (0.41) CRHR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-22 US claimed
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
US-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 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

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-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 CRHR1 229/4885KDM4E 4645/4885LMNA 2622/4885

“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.