SCHEMBL5956591

SCHEMBL5956591

CCN1CCN(c2ccc(-c3cc(CC(=O)c4cccc(C)n4)ccn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.45
CHRNA7 P36544 2/20 0.41
CHRNA10 Q9GZZ6 2/20 0.41
CHRNA9 Q9UGM1 2/20 0.41
HDAC1 Q13547 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A1 P22736 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM1A O60341 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 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
SCHEMBL5790926 0.89 HDAC1 (0.46) WNT3ACHRNA7CHRNA10CHRNA9HDAC1
SCHEMBL5956493 0.81 HDAC1 (0.46) HDAC1
SCHEMBL5956662 0.79 LOXL2 (0.55) WNT3ANPC1RAB9ASMN1; SMN2HTT
SCHEMBL5956490 0.79 WNT3A (0.39) WNT3AHDAC1KDM1A
SCHEMBL5956496 0.79 HPGD (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5956509 0.78 IRAK4 (0.41) WNT3AMAPT
SCHEMBL5956440 0.78 WNT3A (0.43) WNT3AHDAC1NPC1RAB9AMAPT
SCHEMBL5956502 0.78 PRKAB2 (0.47) HDAC1HTTKDM1A
SCHEMBL5956453 0.77 TGFBR1 (0.45) WNT3A
SCHEMBL26354203 0.77 RAD52 (0.48) WNT3ACHRNA7HDAC1NPC1RAB9A

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
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 US disclosed
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
EP-1554275-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US disclosed
WO-2004013134-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 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 (3 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-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 WNT3A 4013/4885CHRNA7 3748/4885CHRNA10 4140/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 WNT3A 787/4885CHRNA7 2545/4885CHRNA10 2595/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 WNT3A 4049/4885CHRNA7 3918/4885CHRNA10 4619/4885

“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.