SCHEMBL5929232

SCHEMBL5929232

CCCCn1c(-c2ccccc2C)nc(Cl)c1CN1CCCCC1c1ccc(C(N)=O)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
CFB P00751 10/20 0.39
OPRK1 P41145 2/20 0.37
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KCNK3 O14649 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
SCHEMBL5928944 0.92 PARP1 (0.42) PARP1CFBOPRK1LMNACYP3A4
SCHEMBL5929140 0.84 SMN1; SMN2 (0.38) CFBLMNAMEN1KMT2AKDM4E
SCHEMBL5929023 0.83 CFB (0.43) PARP1CFBOPRK1LMNACYP3A4
SCHEMBL5929303 0.83 PARP1 (0.42) PARP1CFBOPRK1LMNAKDM4E
SCHEMBL5929147 0.82 POLB (0.40) CFBLMNAMEN1KMT2AKDM4E
SCHEMBL5929170 0.82 KDM4E (0.40) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL5929224 0.81 SMN1; SMN2 (0.40) CFBLMNAMEN1KMT2AKDM4E
SCHEMBL5928957 0.81 MEN1 (0.44) CFBLMNAMEN1KMT2ACYP2D6
SCHEMBL5928918 0.81 KDM4E (0.46) CFBOPRK1LMNAMEN1KMT2A
SCHEMBL5928878 0.79 CFB (0.43) PARP1CFBOPRK1LMNACYP3A4

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 PARP1 3644/4885CFB 26/4885OPRK1 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.