SCHEMBL4180397

SCHEMBL4180397

Cc1c(C)n(CCCCCCN(C)Cc2ccc(OCCN3CCOCC3)cc2)c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.40
BCHE P06276 8/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
FAAH O00519 1/20 0.36
LTA4H P09960 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MAOA P21397 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CCR4 P51679 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
SCHEMBL4183868 0.93 AR (0.41) ACHEBCHECNR1CNR2BRAF
SCHEMBL4183123 0.91 BCHE (0.44) ACHEBCHECNR1CNR2FAAH
SCHEMBL4180763 0.88 KDM4E (0.38)
SCHEMBL4177425 0.81 AR (0.44)
SCHEMBL4184325 0.80 AR (0.35) MAPK14
SCHEMBL4182485 0.79 BCHE (0.39) ACHEBCHECNR1CNR2BRAF
SCHEMBL4183790 0.78 AR (0.39)
SCHEMBL4172748 0.78 AR (0.43)
SCHEMBL4175644 0.77 AR (0.42)
SCHEMBL14625291 0.76 BCHE (0.37) ACHEBCHECNR1CNR2BRAF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA ACHE 4523/4885BCHE 4103/4885CNR1 166/4885

“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.