SCHEMBL650309

SCHEMBL650309

CCCCc1c(CO)nn(C)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.46
HSD11B1 P28845 2/20 0.44
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.41
NR1H3 Q13133 1/20 0.40
CRHR1 P34998 1/20 0.40
GRM5 P41594 1/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHR2 Q13324 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL23399565 0.82 HSD11B1 (0.47) GCGRHSD11B1TSHRNR1H3CRHR1
SCHEMBL23398401 0.79 HSD11B1 (0.43) HSD11B1TSHRNR1H3CRHR1MEN1
SCHEMBL27602286 0.79 GRM5 (0.50) HSD11B1TSHRNR1H3GRM5MEN1
SCHEMBL1912784 0.77 SMN1; SMN2 (0.51) GCGRHSD11B1TSHRSMN1; SMN2POLB
SCHEMBL19209446 0.75 SMN1; SMN2 (0.51) SMN1; SMN2POLBNR1H3CRHR1GRM5
SCHEMBL649784 0.75 ALDH1A1 (0.50) TSHRSMN1; SMN2POLBGRM5CYP1A2
SCHEMBL6617277 0.74 TSHR (0.56) GCGRHSD11B1TSHRSMN1; SMN2NR1H3
SCHEMBL23398972 0.74 SMN1; SMN2 (0.47) HSD11B1TSHRSMN1; SMN2POLBNR1H3
SCHEMBL23399820 0.73 PDE5A (0.45) TSHRPOLBCRHR1MEN1CYP1A2
SCHEMBL23400504 0.73 MAPT (0.44) TSHRSMN1; SMN2POLBCRHR1GRM5

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 11 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
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-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 (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 GCGR 200/4885HSD11B1 3281/4885TSHR 326/4885

“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.