Sugi Predict

Sugi Predict / Compounds / SCHEMBL5136936

SCHEMBL5136936

SCHEMBL5136936

COc1ccccc1C1c2ccccc2CCN1CC(=O)N(Cc1ccccc1F)C1Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.53
▸ OPRM1 P35372 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ HHAT Q5VTY9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6342543 0.90 C5AR1 (0.56) C5AR1OPRM1HDAC8KMT2AMEN1
SCHEMBL5136013 0.90 C5AR1 (0.56) C5AR1OPRM1HDAC8KMT2AMEN1
SCHEMBL6230232 0.89 C5AR1 (0.56) C5AR1OPRM1HDAC8KMT2AMEN1
SCHEMBL6259390 0.88 C5AR1 (0.56) C5AR1OPRM1HDAC8KMT2AMEN1
SCHEMBL6342639 0.88 C5AR1 (0.56) C5AR1OPRM1HDAC8KMT2AMEN1
SCHEMBL5136056 0.88 C5AR1 (0.56) C5AR1OPRM1HDAC8KMT2AMEN1
SCHEMBL5134943 0.88 C5AR1 (0.57) C5AR1OPRM1HDAC8KMT2AMEN1
SCHEMBL5135944 0.88 C5AR1 (0.52) C5AR1OPRM1HDAC8HDAC1
SCHEMBL6206982 0.88 C5AR1 (0.45) C5AR1OPRM1KMT2AMEN1ALDH1A1
SCHEMBL5135850 0.88 C5AR1 (0.57) C5AR1OPRM1HDAC8KMT2AMEN1

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-6777422-B2 FOR TREATING A VARIETY OF INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NEUROGEN CORP. 2004-08-17 — — US claimed
US-20040006069-A1 Substituted tetrahydroisoquinolines as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-01-08 — — US claimed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 — — EP disclosed
US-6916830-B2 Substituted tetrahydroisoquinolines as C5a receptor modulators NEUROGEN CORPORATION (US) 2005-07-12 — — 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-6777422-B2 FOR TREATING A VARIETY OF INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NEUROGEN CORP. 2004-08-17 — — 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-20040006069-A1 Substituted tetrahydroisoquinolines as C5a receptor modulators C5AR1, C3AR1, C5AR2 C5AR1 1/4885OPRM1 548/4885HDAC8 4392/4885

“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.