SCHEMBL504574

SCHEMBL504574

O=C(OCc1ccccc1)N1CCC2OC2CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
CYP2C19 P33261 1/20 0.68
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
GRIN2B Q13224 9/20 0.60
HTT P42858 1/20 0.57
CYP2D6 P10635 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP3A4 P08684 3/20 0.53
ENPP2 Q13822 1/20 0.52
FAAH O00519 1/20 0.52

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
SCHEMBL376463 0.93 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL24938850 0.93 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1467671 0.93 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3898493 0.86 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL14992459 0.86 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL505013 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13784677 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL10156508 0.85 MEN1 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13961998 0.85 MEN1 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL505491 0.85 MEN1 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061294-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 再鼎医药(上海)有限公司 2023-04-20 WO disclosed
US-9873671-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-01-23 US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 US disclosed
US-9505722-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-11-29 US disclosed
US-9505722-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-11-29 US disclosed
EP-2788086-B1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-10-12 EP disclosed
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-9339510-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20160000812-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-01-07 US disclosed
WO-2013083591-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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 (4 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-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 SMN1; SMN2 184/4885NPC1 1427/4885RAB9A 1722/4885
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 SMN1; SMN2 4568/4885NPC1 39/4885RAB9A 1853/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 SMN1; SMN2 2379/4885NPC1 1813/4885RAB9A 732/4885
US-20160000812-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 SMN1; SMN2 4568/4885NPC1 39/4885RAB9A 1853/4885

“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.