SCHEMBL6368137

SCHEMBL6368137

N=C(N)CCCC1CC(c2ccc(-c3ccccc3)cc2)=CCN1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
F2 P00734 4/20 0.38
WDR5 P61964 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HTR2C P28335 1/20 0.32

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
SCHEMBL6648237 0.97 LMNA (0.41) LMNAF2SIGMAR1HTR2C
SCHEMBL6648539 0.87 SIGMAR1 (0.37) F2SIGMAR1HTR2C
SCHEMBL6676171 0.87 F2 (0.32) F2WDR5
SCHEMBL6649065 0.81 IDO1 (0.32)
SCHEMBL9868832 0.79 SIGMAR1 (0.39) F2SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL6586236 0.76 HTR2C (0.41) F2SIGMAR1HTR2C
SCHEMBL6368536 0.76 SIGMAR1 (0.34) LMNAF2SIGMAR1HTR2C
SCHEMBL5401265 0.74 SIGMAR1 (0.34) F2SIGMAR1HTR2C
SCHEMBL6648243 0.73 SIGMAR1 (0.36) F2SIGMAR1HTR2C
SCHEMBL6648602 0.73 SIGMAR1 (0.36) F2SIGMAR1HTR2C

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-20050080096-A1 Condensed heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-14 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-20050080096-A1 Condensed heterocyclic compounds PARP1, PARP2, PARP3 LMNA 161/4885F2 228/4885WDR5 1475/4885

“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.