SCHEMBL4287049

SCHEMBL4287049

CC(=O)c1cc(F)c(N2CCC3(CC2)CCN(C2CCC2)CC3)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
FFAR4 Q5NUL3 5/20 0.36
OPRL1 P41146 2/20 0.35

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
SCHEMBL4130768 0.84 ALDH1A1 (0.49) MEN1KMT2A
SCHEMBL4123122 0.79 ADRA1A (0.47) HRH3MEN1KMT2A
SCHEMBL4136511 0.78 KMT2A (0.62) HRH3MEN1KMT2A
SCHEMBL4141350 0.75 KMT2A (0.58) HRH3MEN1KMT2AFFAR4
SCHEMBL4123176 0.75 MEN1 (0.49) HRH3MEN1KMT2AFFAR4
SCHEMBL4140027 0.75 HRH3 (0.45) HRH3MEN1KMT2AFFAR4
SCHEMBL4427879 0.74 KMT2A (0.57) HRH3MEN1KMT2A
SCHEMBL4936546 0.73 HRH3 (0.64) HRH3MEN1KMT2A
SCHEMBL4135820 0.73 ALDH1A1 (0.44) FFAR4
SCHEMBL4130708 0.73 HRH3 (0.43) HRH3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885MEN1 1522/4885KMT2A 270/4885

“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.