SCHEMBL3928674

SCHEMBL3928674

O=C(O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
S1PR5 Q9H228 2/20 0.44
S1PR1 P21453 1/20 0.44
CACNA1G O43497 1/20 0.44
CCR2 P41597 2/20 0.43
FUCA1 P04066 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL3928676 1.00 SIGMAR1 (0.44) SIGMAR1S1PR5S1PR1CACNA1GCCR2
SCHEMBL3919781 0.88 CCR2 (0.44) SIGMAR1S1PR5S1PR1CACNA1GCCR2
SCHEMBL3919779 0.88 CCR2 (0.44) SIGMAR1S1PR5S1PR1CACNA1GCCR2
SCHEMBL3072524 0.81 UBE2M (0.53) SIGMAR1CCR2FUCA1HDAC3HDAC4
SCHEMBL3072521 0.81 UBE2M (0.53) SIGMAR1CCR2FUCA1HDAC3HDAC4
SCHEMBL3071054 0.81 UBE2M (0.53) SIGMAR1CCR2FUCA1HDAC3HDAC4
SCHEMBL3071052 0.81 UBE2M (0.53) SIGMAR1CCR2FUCA1HDAC3HDAC4
SCHEMBL1721160 0.80 SIGMAR1 (0.43) SIGMAR1S1PR5S1PR1POLBL3MBTL1
SCHEMBL1721155 0.80 SIGMAR1 (0.43) SIGMAR1S1PR5S1PR1POLBL3MBTL1
SCHEMBL4290083 0.78 FUCA1 (0.61) SIGMAR1S1PR5S1PR1FUCA1POLB

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 3 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
WO-2007148185-A2 SUBSTITUTED 3 -AMINO- PYRROLIDINO-4 -LACTAMS AS DPP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-12-27 WO 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 1872/4885S1PR5 2464/4885S1PR1 2333/4885

“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.