SCHEMBL3926744

SCHEMBL3926744

O=C(O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1N1CC(F)(F)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ CHRM2 P08172 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ DRD4 P21917 2/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ FUCA1 P04066 2/20 0.35
▸ HTR4 Q13639 1/20 0.35
▸ SCN4A P35499 2/20 0.35
▸ CACNA1G O43497 1/20 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
SCHEMBL1721376 1.00 S1PR1 (0.37) S1PR1S1PR5CHRM2CHRM3CHRM1
SCHEMBL3926747 1.00 S1PR1 (0.37) S1PR1S1PR5CHRM2CHRM3CHRM1
SCHEMBL3919419 0.90 DRD2 (0.37) DRD4DRD2DRD3SIGMAR1HTR4
SCHEMBL3919422 0.90 DRD2 (0.37) DRD4DRD2DRD3SIGMAR1HTR4
SCHEMBL458397 0.87 KMT2A (0.42) L3MBTL1DRD4DRD2DRD3KMT2A
SCHEMBL148557 0.87 KMT2A (0.42) L3MBTL1DRD4DRD2DRD3KMT2A
SCHEMBL148558 0.87 KMT2A (0.42) L3MBTL1DRD4DRD2DRD3KMT2A
SCHEMBL3932202 0.81 DPP4 (0.47) S1PR1S1PR5CHRM2CHRM3FUCA1
SCHEMBL3932194 0.81 DPP4 (0.47) S1PR1S1PR5CHRM2CHRM3FUCA1
SCHEMBL3932267 0.81 L3MBTL1 (0.41) S1PR1S1PR5L3MBTL1POLBDRD4

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 S1PR1 2333/4885S1PR5 2464/4885CHRM2 3941/4885

“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.

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