SCHEMBL16244875

SCHEMBL16244875

CCCCOC(=O)N1CCC(c2cc(-c3ccco3)nn2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
CACNA1B Q00975 2/20 0.43
APBA1 Q02410 2/20 0.43
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
PTPN7 P35236 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL15208260 0.85 CACNA1B (0.43) SMN1; SMN2MAPTALOX15HSD17B10NPSR1
SCHEMBL5456459 0.77 LMNA (0.49) SMN1; SMN2NPSR1ALDH1A1POLBKDM4E
SCHEMBL373450 0.73 ABCB1 (0.39) MAPTALOX15HSD17B10NPSR1TSHR
SCHEMBL187844 0.71 PLAT (0.44) MAPTHSD17B10TSHRALDH1A1KDM4E
SCHEMBL8922008 0.70 CHRM4 (0.59) SMN1; SMN2MAPTALDH1A1POLBL3MBTL1
SCHEMBL20504703 0.69 LMNA (0.44) SMN1; SMN2HSD17B10NPSR1TSHRALDH1A1
SCHEMBL29491200 0.68 ALDH1A1 (0.43) SMN1; SMN2HSD17B10NPSR1TSHRALDH1A1
SCHEMBL29948573 0.68 LMNA (0.46) SMN1; SMN2HSD17B10NPSR1TSHRALDH1A1
SCHEMBL2447700 0.68 POLB (0.46) SMN1; SMN2MAPTHSD17B10TSHRALDH1A1
SCHEMBL2450467 0.68 POLB (0.49) SMN1; SMN2MAPTHSD17B10TSHRALDH1A1

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-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 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-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS PTGER4, PTGER1, PDE4A SMN1; SMN2 4444/4885MAPT 4811/4885ALOX15 1164/4885

“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.