SCHEMBL5929039

SCHEMBL5929039

CCc1cccc(CC)c1-c1nc(C)c(CN2CCCCC2c2ccc3c(c2)OCO3)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TERT O14746 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ FAAH O00519 2/20 0.36
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5929101 0.88 TERT (0.42) ALDH1A1RAB9ABCHESMN1; SMN2KDM4E
SCHEMBL5928988 0.84 POLB (0.42) MAPTALDH1A1RAB9ABCHESMN1; SMN2
SCHEMBL5928927 0.78 KMT2A (0.41) ALDH1A1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL5929104 0.78 CPT2 (0.38) ALDH1A1RAB9ABCHESMN1; SMN2KDM4E
SCHEMBL5929070 0.76 KMT2A (0.41) ALDH1A1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL5929123 0.76 POLB (0.40) ALDH1A1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL5929049 0.75 POLB (0.41) ALDH1A1RAB9ASMN1; SMN2KDM4EKMT2A
SCHEMBL5929189 0.74 KMT2A (0.36) ALDH1A1BCHEKDM4EKMT2ALMNA
SCHEMBL5929012 0.73 POLB (0.38) MAPTALDH1A1RAB9ABCHEKDM4E
SCHEMBL5929306 0.73 C5AR1 (0.44) ALDH1A1RAB9ASMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 — — US disclosed
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 — — 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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 MAPT 4781/4885ALDH1A1 3884/4885RAB9A 3136/4885

“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.

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