SCHEMBL16933641

SCHEMBL16933641

NC(=O)N1CCN(c2cccc(-c3ncccn3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.61
HTR7 P34969 2/20 0.61
HTR2A P28223 1/20 0.61
HTR6 P50406 1/20 0.61
DHFR P00374 1/20 0.55
SLC6A7 Q99884 4/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL16933547 0.81 DHFR (0.50) DHFRKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL16933561 0.80 GPR119 (0.54) DHFRLMNAMAPTPOLBKIT
SCHEMBL16933533 0.80 HTR1A (0.59) HTR1AHTR7HTR2AHTR6DHFR
SCHEMBL29415403 0.77 DHFR (0.57) HTR1AHTR7DHFRKDM4ESMN1; SMN2
SCHEMBL15578248 0.77 KDM4E (0.56) DHFRKDM4ECYP2C19
SCHEMBL29386933 0.75 HTR7 (0.71) HTR1AHTR7HTR2AHTR6DHFR
SCHEMBL14961828 0.75 DHFR (0.54) HTR1AHTR7DHFRLMNA
SCHEMBL13118681 0.75 HTR7 (0.71) HTR1AHTR7HTR2AHTR6DHFR
SCHEMBL3867043 0.73 HTR1A (0.67) HTR1AHTR7HTR2AHTR6SLC6A7
SCHEMBL27382893 0.72 HTR1A (0.66) HTR1AHTR7HTR2AHTR6LMNA

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-11008316-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2021-05-18 US disclosed
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2018-03-08 US disclosed
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 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 (3 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-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA HTR1A 4709/4885HTR7 4826/4885HTR2A 4753/4885
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA HTR1A 4709/4885HTR7 4826/4885HTR2A 4753/4885
US-11008316-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GAA HTR1A 4721/4885HTR7 4827/4885HTR2A 4813/4885

“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.