SCHEMBL737577

SCHEMBL737577

O=C1CNC(c2ccccc2)CO1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.46
CYP19A1 P11511 3/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL737244 1.00 PRCP (0.46) PRCPCYP19A1TSHRSMN1; SMN2AR
SCHEMBL739240 1.00 PRCP (0.46) PRCPCYP19A1TSHRSMN1; SMN2AR
Hydrochloric Acid SCHEMBL14472340 0.98 PRCP (0.44) PRCPCYP19A1TSHRSMN1; SMN2AR
Hydrochloric Acid SCHEMBL736275 0.98 PRCP (0.44) PRCPCYP19A1TSHRSMN1; SMN2AR
SCHEMBL8266504 0.78 PRCP (0.46) PRCPCYP19A1TSHRARMEN1
Hydrochloric Acid SCHEMBL28764877 0.78 HSD11B1 (0.34) PRCPMEN1KMT2ALMNA
SCHEMBL20915054 0.75 PRCP (0.56) PRCPCYP19A1TSHRMEN1KMT2A
SCHEMBL445133 0.73 SMN1; SMN2 (0.42) CYP19A1TSHRSMN1; SMN2ARMEN1
SCHEMBL4562 0.73 SMN1; SMN2 (0.42) CYP19A1TSHRSMN1; SMN2ARMEN1
SCHEMBL16106147 0.73 SMN1; SMN2 (0.42) CYP19A1TSHRSMN1; SMN2ARMEN1

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 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516925-A Photopolymerization initiation system based on nitrogen-containing heterocyclic ketone compound and photopolymerization method thereof 海南师范大学 2022-05-20 CN claimed
EP-4142878-B1 PYRIDINE INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2024-06-26 EP disclosed
CN-114516925-B Photopolymerization initiation system based on nitrogen-containing heterocyclic ketone compound and photopolymerization method thereof 海南师范大学 2023-07-14 CN disclosed
US-20230212123-A1 Pyridine Inhibitors of Glucosylceramide Synthase and Therapeutic Methods Using the Same UNIV MICHIGAN REGENTS (US) 2023-07-06 US disclosed
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-06-01 US disclosed
EP-4142878-A1 PYRIDINE INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2023-03-08 EP disclosed
CN-114516925-A Photopolymerization initiation system based on nitrogen-containing heterocyclic ketone compound and photopolymerization method thereof 海南师范大学 2022-05-20 CN disclosed
WO-2021221953-A1 PYRIDINE INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-04 WO disclosed
US-20210171507-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2021-06-10 US disclosed
WO-2006081273-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROAYRYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY ALLERGAN, INC. (US) 2006-08-03 WO disclosed
WO-2006058674-A1 RYLENE TETRACARBOXYLIC ACID DIIMIDES SUBSTITUTED BY CYCLIC AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed
US-20050222244-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2005-10-06 US disclosed
WO-2005077969-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-25 WO disclosed
WO-2005037860-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOPORATED (US) 2005-04-28 WO disclosed
US-6855830-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2005-02-15 US disclosed
US-20050009872-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2005-01-13 US disclosed
EP-1409467-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION (US) 2004-04-21 EP disclosed
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents GENZYME CORPORATION 2003-03-13 US disclosed
WO-2003008399-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION (US) 2003-01-30 WO 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-20050222244-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGCG, UGGT1, DPAGT1 PRCP 1736/4885CYP19A1 3114/4885TSHR 4491/4885
US-20210171507-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 PRCP 1736/4885CYP19A1 3114/4885TSHR 4491/4885
US-20230190950-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A PRCP 750/4885CYP19A1 4667/4885TSHR 2359/4885
US-20230165970-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS FCGR3B, FCGR1A, FCGR2A PRCP 750/4885CYP19A1 4667/4885TSHR 2359/4885
US-20050009872-A1 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors UGCG, UGGT1, DPAGT1 PRCP 1736/4885CYP19A1 3114/4885TSHR 4491/4885
US-20230212123-A1 Pyridine Inhibitors of Glucosylceramide Synthase and Therapeutic Methods Using the Same GBA1, GAA, GBA2 PRCP 188/4885CYP19A1 4237/4885TSHR 3530/4885
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents UGCG, UGGT1, LCLAT1 PRCP 826/4885CYP19A1 1621/4885TSHR 3968/4885

“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.