SCHEMBL3931359

SCHEMBL3931359

COC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCC(F)(F)CCl

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.41
CHRM4 P08173 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39

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
SCHEMBL3931356 1.00 SIGMAR1 (0.41) SIGMAR1CHRM4MAOAMAOBDRD2
SCHEMBL146403 0.82 KMT2A (0.45) SIGMAR1CHRM4MAOAMAOBDRD2
SCHEMBL459129 0.82 KMT2A (0.45) SIGMAR1CHRM4MAOAMAOBDRD2
SCHEMBL146402 0.82 KMT2A (0.45) SIGMAR1CHRM4MAOAMAOBDRD2
SCHEMBL1721160 0.79 SIGMAR1 (0.43) SIGMAR1CHRM4MAOAMAOBDRD2
SCHEMBL1721155 0.79 SIGMAR1 (0.43) SIGMAR1CHRM4MAOAMAOBDRD2
SCHEMBL3921370 0.77 S1PR5 (0.49) SIGMAR1MAOBDRD2DRD4DRD3
SCHEMBL3921374 0.77 S1PR5 (0.49) SIGMAR1MAOBDRD2DRD4DRD3
SCHEMBL1721452 0.74 KMT2A (0.48) SIGMAR1MAOAMAOBDRD2DRD4
SCHEMBL146363 0.74 KMT2A (0.48) SIGMAR1MAOAMAOBDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 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-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 SIGMAR1 1872/4885CHRM4 4013/4885MAOA 3074/4885

“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.