SCHEMBL648038

SCHEMBL648038

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN(CCC(C)C)Cc1ccc2[nH]cc(Cl)c2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MC4R P32245 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CRHR1 P34998 1/20 0.32
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
KLKB1 P03952 1/20 0.30
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL647954 0.90 KMT2A (0.34) KMT2AMEN1MC4RL3MBTL1
SCHEMBL651017 0.89 MEN1 (0.35) KMT2AMEN1TRPM8CRHR1PRKCB
SCHEMBL648134 0.88 MEN1 (0.34) KMT2AMEN1TRPM8CRHR1PRKCB
SCHEMBL648912 0.87 KMT2A (0.37) KMT2AMEN1L3MBTL1CRHR1
SCHEMBL648563 0.87 MEN1 (0.36) KMT2AMEN1TRPM8PRKCBPRKCA
SCHEMBL648022 0.87 ATM (0.34) KMT2AMEN1TRPM8L3MBTL1
SCHEMBL650154 0.86 KMT2A (0.39) KMT2AMEN1L3MBTL1CRHR1
SCHEMBL650605 0.85 TRPA1 (0.38) KMT2AMEN1TRPM8L3MBTL1CRHR1
SCHEMBL1913104 0.82 C5AR1 (0.42) KMT2AMEN1L3MBTL1CRHR1
SCHEMBL648120 0.81 SMPD1 (0.38) KMT2AMEN1L3MBTL1CRHR1

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 14 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US 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-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
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN disclosed
EP-1490343-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-29 EP disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
WO-2003082829-A1 NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 KMT2A 3598/4885MEN1 3436/4885MC4R 376/4885
US-20040014782-A1 Combination therapy for the treatment of diseases involving inflammatory components C5AR1, C5AR2, C3AR1 KMT2A 4753/4885MEN1 2586/4885MC4R 305/4885

“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.