SCHEMBL647693

SCHEMBL647693

CCCCN(Cc1ccc(C(N)=O)cc1)[C@H](C)c1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
JAK3 P52333 3/20 0.42
C5AR1 P21730 1/20 0.41
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 2/20 0.36
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NPC1 O15118 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL652002 1.00 JAK2 (0.42) JAK2JAK1TYK2JAK3C5AR1
SCHEMBL647694 1.00 JAK2 (0.42) JAK2JAK1TYK2JAK3C5AR1
SCHEMBL4763885 0.95 C5AR1 (0.42) JAK2JAK1TYK2JAK3C5AR1
SCHEMBL650430 0.93 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647984 0.93 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL647985 0.93 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD
SCHEMBL1912806 0.91 C5AR1 (0.41) JAK2JAK1TYK2JAK3C5AR1
SCHEMBL650693 0.90 LPAR1 (0.40) C5AR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL650681 0.90 LPAR1 (0.40) C5AR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1913632 0.85 C5AR1 (0.42) C5AR1TSHRKDM4EALDH1A1HPGD

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
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
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 JAK2 607/4885JAK1 443/4885TYK2 459/4885

“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.