SCHEMBL2541309

SCHEMBL2541309

NC1CCCN(c2nc(NC3CCN(C(=O)Cc4ccccc4-c4ccccc4)C3)nc3ccccc23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GBA1 P04062 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
TSHR P16473 2/20 0.35
CDK2 P24941 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
HDAC1 Q13547 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
MGLL Q99685 1/20 0.34
MAPT P10636 2/20 0.34
SMAD3 P84022 1/20 0.34

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
SCHEMBL12225482 1.00 DPP4 (0.39) DPP4CYP3A4MEN1KMT2AGBA1
SCHEMBL4362415 0.90 MEN1 (0.37) MEN1KMT2AGBA1CHRNB2CHRNB4
SCHEMBL2541617 0.87 CHRNB2 (0.38) MEN1KMT2AGBA1CHRNB2CHRNB4
SCHEMBL2539907 0.87 PRKD1 (0.40) CYP3A4MEN1KMT2AGBA1TSHR
SCHEMBL2532857 0.87 GBA1 (0.40) MEN1KMT2AGBA1TSHRCDK2
SCHEMBL2539903 0.87 PRKD1 (0.40) CYP3A4MEN1KMT2AGBA1TSHR
SCHEMBL2532859 0.87 GBA1 (0.40) MEN1KMT2AGBA1TSHRCDK2
SCHEMBL2537770 0.86 TSHR (0.52) TSHRPIK3R1PIK3CAMTORMAPT
SCHEMBL2537766 0.86 TSHR (0.52) TSHRPIK3R1PIK3CAMTORMAPT
SCHEMBL2536983 0.86 TSHR (0.43) CYP3A4MEN1KMT2ATSHRPIK3R1

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-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R DPP4 367/4885CYP3A4 1329/4885MEN1 1210/4885

“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.