SCHEMBL13118681

SCHEMBL13118681

c1cnc(-c2cccc(N3CCNCC3)c2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.71
HTR1A P08908 7/20 0.71
DHFR P00374 1/20 0.54
ADRB1 P08588 4/20 0.54
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3A P46098 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
HTR2C P28335 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL29386933 1.00 HTR7 (0.71) HTR7HTR1ADHFRADRB1HTR3E
SCHEMBL29415403 0.83 DHFR (0.57) HTR7HTR1ADHFRALDH1A1CAMK2D
SCHEMBL1200127 0.81 PLD1 (0.56) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL14961828 0.81 DHFR (0.54) HTR7HTR1ADHFRHTTCAMK2D
SCHEMBL30022113 0.80 HTR7 (1.00) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL1914606 0.80 HTR7 (1.00) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL28219211 0.78 HTR7 (0.67) HTR7HTR1ADHFRADRB1HTR3E
Hydrochloric Acid SCHEMBL29157433 0.78 HTR7 (0.96) HTR7HTR1AADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL6786785 0.78 HTR7 (0.96) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL30146627 0.78 HTR7 (0.96) HTR7HTR1AADRB1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026749-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2025-01-23 US disclosed
US-12060349-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2024-08-13 US disclosed
EP-4098654-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2022-12-07 EP disclosed
CN-114533729-A Glucosylceramide synthase inhibitors 建新公司 2022-05-27 CN disclosed
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2022-03-10 US disclosed
EP-2895484-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2022-02-23 EP disclosed
CN-108864076-B Glucosylceramide synthase inhibitors 建新公司 2022-02-11 CN disclosed
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
EP-2895484-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2015-07-22 EP disclosed
WO-2014043068-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2014-03-20 WO disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-7807672-B2 Compounds that are ERK inhibitors SCHERING CORPORATION (US) 2010-10-05 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 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 (7 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 HTR7 4826/4885HTR1A 4709/4885DHFR 1272/4885
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA HTR7 4826/4885HTR1A 4709/4885DHFR 1272/4885
US-11008316-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GAA HTR7 4827/4885HTR1A 4721/4885DHFR 1556/4885
US-12060349-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GALC HTR7 4806/4885HTR1A 4682/4885DHFR 1832/4885
US-20250026749-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA HTR7 4826/4885HTR1A 4709/4885DHFR 1272/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 HTR7 4142/4885HTR1A 3787/4885DHFR 1122/4885
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA HTR7 4826/4885HTR1A 4709/4885DHFR 1272/4885

“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.