SCHEMBL4522884

SCHEMBL4522884

CC(=O)N1CCC2(CC1)CN1C(=O)CN(C(=O)O)CC1(COCc1ccccn1)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 6/20 0.38
HPGD P15428 4/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
USP2 O75604 1/20 0.38
TACR1 P25103 2/20 0.36
OPRD1 P41143 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 3/20 0.33
MGLL Q99685 1/20 0.33
GRM5 P41594 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BUB1 O43683 1/20 0.33
OPRK1 P41145 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL4537315 0.78 F10 (0.43) GRM5
SCHEMBL4520507 0.78 SMN1; SMN2 (0.33) CYP3A4
SCHEMBL5317506 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL4526100 0.77 F10 (0.36) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL4522977 0.73 CYP2D6 (0.47) ALDH1A1HPGDTSHRUSP2OPRD1
SCHEMBL14344926 0.72 MGLL (0.38) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL14345001 0.69
SCHEMBL4237209 0.68 CYP2D6 (0.41) ALDH1A1TSHRUSP2OPRD1CYP2D6
SCHEMBL6078819 0.67 F10 (0.42) ALDH1A1TSHRHIF1ACYP2D6CYP3A4
SCHEMBL4530692 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A ALDH1A1 2791/4885HSD17B10 915/4885HPGD 1298/4885

“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.