SCHEMBL2539907

SCHEMBL2539907

O=C(Cc1ccccc1-c1ccccc1)N1CCC(Nc2nc(N3CCCNCC3)c3ccccc3n2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.40
CYP1A2 P05177 7/20 0.38
CYP2D6 P10635 5/20 0.38
CYP3A4 P08684 5/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 3/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 2/20 0.37
GBA1 P04062 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR6 P50406 2/20 0.36
TACR2 P21452 1/20 0.36
TACR3 P29371 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL2539903 1.00 PRKD1 (0.40) PRKD1CYP1A2CYP2D6CYP3A4TSHR
Hydrochloric Acid SCHEMBL2539270 0.99 PRKD1 (0.40) PRKD1CYP1A2CYP2D6CYP3A4TSHR
Hydrochloric Acid SCHEMBL2539271 0.99 PRKD1 (0.40) PRKD1CYP1A2CYP2D6CYP3A4TSHR
SCHEMBL2532859 0.88 GBA1 (0.40) TSHRMAPTMEN1KMT2AHSD17B10
SCHEMBL2532857 0.88 GBA1 (0.40) TSHRMAPTMEN1KMT2AHSD17B10
SCHEMBL2536983 0.87 TSHR (0.43) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL2536979 0.87 TSHR (0.43) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL12225482 0.87 DPP4 (0.39) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL2541309 0.87 DPP4 (0.39) CYP3A4TSHRMAPTMEN1KMT2A
SCHEMBL4362415 0.86 MEN1 (0.37) MAPTMEN1KMT2AGBA1OPRM1

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 PRKD1 696/4885CYP1A2 3842/4885CYP2D6 2519/4885

“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.