SCHEMBL29415403

SCHEMBL29415403

c1cnc(-c2cccc(N3CCCCC3)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.57
HTR1A P08908 2/20 0.50
HTR7 P34969 2/20 0.50
PRMT6 Q96LA8 1/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CAMK2D Q13557 1/20 0.47
AGXT P21549 1/20 0.45
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
CLK4 Q9HAZ1 2/20 0.42
TERT O14746 1/20 0.42
DYRK1A Q13627 1/20 0.42
KDM5B Q9UGL1 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
SCHEMBL28206420 0.85 KDM4E (0.46) DHFRHTR1AHTR7PRMT6HPGD
SCHEMBL15033617 0.84 HPGD (0.51) DHFRHTR1AHTR7PRMT6HPGD
SCHEMBL13118681 0.83 HTR7 (0.71) DHFRHTR1AHTR7ALDH1A1CAMK2D
SCHEMBL29386933 0.83 HTR7 (0.71) DHFRHTR1AHTR7ALDH1A1CAMK2D
SCHEMBL14961828 0.83 DHFR (0.54) DHFRHTR1AHTR7CAMK2DAGXT
SCHEMBL13537051 0.80 HTR1A (0.76) DHFRHTR1AHTR7HPGDKDM4E
SCHEMBL16933641 0.77 HTR1A (0.61) DHFRHTR1AHTR7HPGDKDM4E
SCHEMBL28560915 0.77 RAB9A (0.51) DHFRHPGDKDM4EMEN1ALDH1A1
SCHEMBL22685038 0.77 ALDH1A1 (0.59) HTR1AHTR7PRMT6HPGDKDM4E
SCHEMBL15578248 0.76 KDM4E (0.56) DHFRKDM4E

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-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2022-03-10 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-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA DHFR 1272/4885HTR1A 4709/4885HTR7 4826/4885

“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.