SCHEMBL4766615

SCHEMBL4766615

O=C(c1ccccc1-n1cccn1)N(Cc1ccccc1)C(Cc1ccccc1)C1=COCO1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.41
HCRTR2 O43614 13/20 0.39
HCRTR1 O43613 12/20 0.39
TPH1 P17752 1/20 0.36
CAPN1 P07384 1/20 0.35
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL5073949 0.78 HCRTR1 (0.43) TNKSHCRTR2HCRTR1
SCHEMBL4766609 0.71 ALDH1A1 (0.56) TNKSHCRTR2HCRTR1LMNAHSD17B10
SCHEMBL1339393 0.64 ALDH1A1 (0.50) HCRTR2HCRTR1LMNA
SCHEMBL17773157 0.62 HCRTR1 (0.46) HCRTR2HCRTR1LMNA
SCHEMBL1462830 0.62 CYP1A2 (0.44) HSD17B10
SCHEMBL506238 0.61 LMNA (0.37) LMNA
SCHEMBL11665769 0.60 ALDH1A1 (0.51) HCRTR2HCRTR1LMNA
SCHEMBL2466830 0.60 EPHX1 (0.55)
SCHEMBL5806034 0.60 EPHX1 (0.41) LMNA
SCHEMBL1430902 0.60 MIF (0.56)

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 5 patents. 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 disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 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
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 (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 TNKS 2864/4885HCRTR2 374/4885HCRTR1 296/4885

“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.