SCHEMBL5929324

SCHEMBL5929324

CCCCn1c(-c2c(CC)cccc2CC)nc(-c2ccccc2)c1CN1CCCCC1c1ccc(C(N)=O)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.38
OPRK1 P41145 2/20 0.36
CFB P00751 6/20 0.34
PARP2 Q9UGN5 2/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
PDCD1 Q15116 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
POLB P06746 1/20 0.31
OPRD1 P41143 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5929211 0.87 OPRK1 (0.43) PARP1OPRK1CFBPOLBKDM4E
SCHEMBL5929134 0.85 GAA (0.39) CFBPDCD1CD274
SCHEMBL5929306 0.84 C5AR1 (0.44) LMNAPOLBKDM4EALDH1A1MAPK1
SCHEMBL5928944 0.83 PARP1 (0.42) PARP1OPRK1CFBPARP2CYP3A4
SCHEMBL5929002 0.82 CD274 (0.36) CYP3A4KCNH2PDCD1CD274KDM4E
SCHEMBL5929082 0.80 OPRK1 (0.37) OPRK1CFBCYP3A4LMNAKDM4E
SCHEMBL5929232 0.79 PARP1 (0.40) PARP1OPRK1CFBCYP3A4CYP2D6
SCHEMBL5929363 0.78 KMT2A (0.39) OPRK1CFBLMNAOPRD1KDM4E
SCHEMBL5929135 0.77 GAA (0.41) CFBPDCD1CD274KDM4EALDH1A1
SCHEMBL5928899 0.76 GAA (0.40) CFBCYP3A4POLBKDM4EALDH1A1

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 3644/4885OPRK1 523/4885CFB 26/4885

“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.