SCHEMBL651092

SCHEMBL651092

CCCCN(Cc1ccccc1)Cc1c(Br)nc(-c2ccccc2)n1CCCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
CRHR1 P34998 2/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 6/20 0.41
HSD17B10 Q99714 6/20 0.41
CYP3A4 P08684 5/20 0.41
C5AR1 P21730 1/20 0.40
NR1H3 Q13133 1/20 0.39
BCHE P06276 1/20 0.39
PDE4B Q07343 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL4764206 0.88 TSHR (0.48) TSHRCRHR1KDM4EALDH1A1HPGD
SCHEMBL4769369 0.87 TSHR (0.47) TSHRCRHR1KDM4EALDH1A1HPGD
SCHEMBL649161 0.87 C5AR1 (0.47) TSHRCRHR1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL648480 0.86 C5AR1 (0.46) TSHRCRHR1KDM4EALDH1A1HPGD
SCHEMBL5136527 0.85 C5AR1 (0.46) TSHRCRHR1KDM4EALDH1A1HPGD
SCHEMBL6615408 0.84 TSHR (0.46) TSHRCRHR1KDM4EALDH1A1HPGD
SCHEMBL5137962 0.84 C5AR1 (0.44) TSHRCRHR1KDM4EALDH1A1HPGD
SCHEMBL4763751 0.84 TSHR (0.39) TSHRCRHR1KDM4EALDH1A1HPGD
SCHEMBL5137489 0.83 C5AR1 (0.48) TSHRCRHR1KDM4EALDH1A1HPGD
SCHEMBL5134816 0.83 CRHR1 (0.44) TSHRCRHR1KDM4EALDH1A1HPGD

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP 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
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
EP-1322309-B1 HIGH AFFINITY SMALL MOLECULE C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2008-08-13 EP disclosed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 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-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027158-A1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION 2007-02-01 US disclosed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS 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
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
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 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-20070027158-A1 High affinity small molecule C5a receptor modulators C3AR1, C5AR1, C5AR2 TSHR 952/4885CRHR1 996/4885KDM4E 3927/4885

“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.