SCHEMBL6207029

SCHEMBL6207029

O=C(CBr)N(Cc1ccccc1F)C1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.47
OPRM1 P35372 2/20 0.46
MAPT P10636 1/20 0.44
ALDH1A1 P00352 9/20 0.44
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
RIPK1 Q13546 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
SCHEMBL14099804 0.88 C5AR1 (0.46) C5AR1OPRM1MAPTALDH1A1THRB
SCHEMBL6206609 0.88 C5AR1 (0.46) C5AR1OPRM1MAPTALDH1A1THRB
SCHEMBL5047630 0.79 ALDH1A1 (0.43) C5AR1OPRM1ALDH1A1THRBKDM4E
SCHEMBL5047628 0.79 C5AR1 (0.44) C5AR1OPRM1ALDH1A1THRBKDM4E
SCHEMBL5135947 0.76 MAPT (0.48) C5AR1OPRM1MAPTALDH1A1KDM4E
SCHEMBL5136013 0.75 C5AR1 (0.56) C5AR1OPRM1ALDH1A1THRBMEN1
SCHEMBL6342543 0.75 C5AR1 (0.56) C5AR1OPRM1ALDH1A1THRBMEN1
SCHEMBL6340644 0.75 C5AR1 (0.53) C5AR1OPRM1MAPTALDH1A1LMNA
SCHEMBL5136009 0.75 C5AR1 (0.53) C5AR1OPRM1MAPTALDH1A1LMNA
SCHEMBL19002822 0.74 OPRM1 (0.69) OPRM1ALDH1A1THRBLMNAMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-1487798-A4 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-07-13 EP disclosed
EP-1487798-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS Neurogen Corporation (US) 2004-12-22 EP disclosed
WO-2003082828-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 C5AR1 2/4885OPRM1 135/4885MAPT 4725/4885

“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.