SCHEMBL650528

SCHEMBL650528

CCCCn1c(C)cnc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
NR1H3 Q13133 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HSD11B1 P28845 2/20 0.46
PDE4B Q07343 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ADORA2B P29275 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGDS O60760 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TP53 P04637 1/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL594161 0.85 TSHR (0.63) TSHRNR1H3KDM4EHSD17B10HSD11B1
SCHEMBL8445939 0.85 TSHR (0.46) TSHRKDM4EHSD17B10PDE4BALDH1A1
SCHEMBL650440 0.81 TSHR (0.58) TSHRNR1H3KDM4EHSD17B10HSD11B1
SCHEMBL27576608 0.81 TSHR (0.58) TSHRNR1H3KDM4EHSD17B10HSD11B1
SCHEMBL28752277 0.80 TSHR (0.56) TSHRNR1H3KDM4EHSD17B10HSD11B1
SCHEMBL14572789 0.80 TSHR (0.56) TSHRNR1H3KDM4EHSD17B10HSD11B1
SCHEMBL650017 0.80 TSHR (0.56) TSHRNR1H3KDM4EHSD17B10HSD11B1
SCHEMBL647603 0.80 TSHR (0.56) TSHRNR1H3KDM4EHSD17B10HSD11B1
SCHEMBL651962 0.78 TSHR (0.54) TSHRNR1H3KDM4EHSD17B10HSD11B1
SCHEMBL6619449 0.78 TSHR (0.54) TSHRNR1H3KDM4EHSD17B10HSD11B1

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 10 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
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 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-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
CN-1646497-A Novel arylimidazoles and related compounds as modulators of the C5a receptor NEUROGEN CORP (US) 2005-07-27 CN disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
US-20040116424-A1 Aryl imidazoles and related compounds as C5a receptor modulators NEUROGEN CORPORATION 2004-06-17 US disclosed
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 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 (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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 TSHR 952/4885NR1H3 1345/4885KDM4E 3927/4885
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 TSHR 326/4885NR1H3 1229/4885KDM4E 2551/4885

“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.