SCHEMBL5929023

SCHEMBL5929023

CCCCn1c(-c2c(C)cccc2C)nc(Cl)c1CN1CCCCC1c1ccc(C(N)=O)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFB P00751 11/20 0.43
PARP1 P09874 1/20 0.41
OPRK1 P41145 3/20 0.40
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
KCNK3 O14649 1/20 0.34
LMNA P02545 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL5929015 0.94 CFB (0.50) CFBPARP1OPRK1CYP3A4CYP2D6
SCHEMBL5929089 0.94 CFB (0.43) CFBPARP1OPRK1CYP3A4CYP2D6
SCHEMBL5928878 0.93 CFB (0.43) CFBPARP1OPRK1CYP3A4CYP2D6
SCHEMBL5929025 0.92 CFB (0.37) CFBCYP3A4CYP2D6KCNH2
SCHEMBL5928944 0.90 PARP1 (0.42) CFBPARP1OPRK1CYP3A4CYP2D6
SCHEMBL5929004 0.86 KMT2A (0.39) CFB
SCHEMBL5929301 0.84 KDM4E (0.39) CFBOPRK1CYP3A4CYP2D6KCNH2
SCHEMBL5929052 0.84 KDM4E (0.39) CFBOPRK1CYP3A4CYP2D6KCNH2
SCHEMBL5928941 0.84 KDM4E (0.39) CFBOPRK1CYP3A4CYP2D6KCNH2
SCHEMBL5929140 0.83 SMN1; SMN2 (0.38) CFBLMNA

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 CFB 26/4885PARP1 3644/4885OPRK1 523/4885

“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.