SCHEMBL5929181

SCHEMBL5929181

CCc1cccc(CC)c1-c1nc(-c2ccc(C)cc2)c(CN2CCCCC2C2CCCCC2)n1CCOC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ KCNK3 O14649 2/20 0.34
▸ KCNK9 Q9NPC2 2/20 0.34
▸ KDM4E B2RXH2 5/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ CNR1 P21554 3/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5929127 0.94 ALDH1A1 (0.35) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL5928969 0.88 HCRTR1 (0.37) KCNK3KCNK9KDM4EALDH1A1TRPV4
SCHEMBL5929118 0.88 KMT2A (0.36) KMT2AKDM4EALDH1A1POLBCYP3A4
SCHEMBL5929059 0.86 KDM4E (0.33) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL5929248 0.86 KDM4E (0.33) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL5929310 0.85 KMT2A (0.38) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL5929000 0.82 CYP3A4 (0.34) KMT2AKDM4EMEN1ALDH1A1CNR1
SCHEMBL5929137 0.80 ADORA2B (0.38) KCNK3KCNK9KDM4EALDH1A1NPC1
SCHEMBL5929210 0.78 KDM4E (0.35) KMT2AKDM4EMEN1ALDH1A1POLB
SCHEMBL5929141 0.76 KMT2A (0.38) KMT2AKCNK3KCNK9KDM4EMAPT

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 1 patent. 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

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 KMT2A 2955/4885KCNK3 2661/4885KCNK9 2409/4885

“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.

Send feedback