SCHEMBL652797

SCHEMBL652797

CCCCC(N=CC1CCCCC1)c1cnc(-c2ccccc2)n1CCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 4/20 0.35
ADORA2B P29275 4/20 0.35
ADORA1 P30542 4/20 0.35
NR1H3 Q13133 1/20 0.33
CNR2 P34972 3/20 0.32
PDE4B Q07343 2/20 0.32
KDM4E B2RXH2 5/20 0.32
HSD17B10 Q99714 5/20 0.32
ALDH1A1 P00352 6/20 0.32
HPGD P15428 5/20 0.32
CYP3A4 P08684 3/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL1912802 1.00 TSHR (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL652798 1.00 TSHR (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL648974 0.76 TSHR (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL650935 0.76 TSHR (0.42) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL1912801 0.75 TSHR (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL650536 0.75 TSHR (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL650936 0.75 TSHR (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL6615988 0.75 TSHR (0.41) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL651962 0.72 TSHR (0.54) TSHRADORA3ADORA2AADORA2BADORA1
SCHEMBL27620788 0.72 TSHR (0.54) TSHRADORA3ADORA2AADORA2BADORA1

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 4 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-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-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 TSHR 326/4885ADORA3 12/4885ADORA2A 16/4885

“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.