Sugi Predict

Sugi Predict / Compounds / SCHEMBL5075240

SCHEMBL5075240

SCHEMBL5075240

CCCn1c(CN(Cc2ccccc2)Cc2ccc3[nH]ccc3c2)cnc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ SLC6A2 P23975 4/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ SLC6A3 Q01959 4/20 0.35
▸ PRKCQ Q04759 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ MAP3K11 Q16584 2/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL5135079 0.94 C5AR1 (0.38) F2TSHRNPC1KLKB1SLC6A2
SCHEMBL5135365 0.94 TSHR (0.37) F2TSHRNPC1KLKB1SLC6A2
SCHEMBL5136544 0.88 BCHE (0.39) F2TSHRNPC1KLKB1SLC6A2
SCHEMBL4764303 0.84 C5AR1 (0.54) LMNATSHRHTTNPSR1
SCHEMBL5136794 0.80 BCHE (0.48) TSHR
SCHEMBL5072278 0.78 TSHR (0.51) LMNATSHRHTTNPSR1MAOB
SCHEMBL5137292 0.78 C5AR1 (0.46) LMNATSHRHTTNPSR1METAP2
SCHEMBL651784 0.77 C5AR1 (0.46) TSHRNPC1KLKB1SLC6A2SLC6A4
SCHEMBL5136052 0.77 TSHR (0.43) LMNATSHRHTTNPSR1MAPK1
SCHEMBL5135572 0.76 C5AR1 (0.39) TSHRSLC6A2SLC6A4SLC6A3KDM1A

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
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-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-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 — — EP 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 F2 199/4885LMNA 4770/4885TSHR 952/4885

“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.