SCHEMBL3588307

SCHEMBL3588307

CN1CCN(c2coc3ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
ADRA2C P18825 1/20 0.47
PHGDH O43175 1/20 0.47
DRD2 P14416 3/20 0.45
DRD3 P35462 2/20 0.45
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NCF1 P14598 1/20 0.44
HRH4 Q9H3N8 2/20 0.43
PRKDC P78527 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41

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
SCHEMBL28241794 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ECHRNB2CHRNA4PHGDH
SCHEMBL11321507 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ECHRNB2CHRNA4PHGDH
SCHEMBL24524524 0.81 KDM4E (0.77) ALDH1A1KDM4ECHRNB2CHRNA4PHGDH
SCHEMBL3560946 0.79 HTR6 (0.53) ALDH1A1KDM4ENCF1HTR3AHTR3E
SCHEMBL3600354 0.79 DRD2 (0.49) ADRA2CDRD2DRD3SLC6A4SLC6A2
SCHEMBL11147698 0.76 SIGMAR1 (0.63) ALDH1A1KDM4EDRD2DRD3NCF1
SCHEMBL7812865 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ECHRNB2CHRNA4PHGDH
SCHEMBL22860681 0.75 HTR1A (0.41) ALDH1A1KDM4EPHGDHDRD2DRD3
SCHEMBL5912760 0.74 GAA (0.60) ALDH1A1KDM4EPHGDH
SCHEMBL13772456 0.72 SIGMAR1 (0.58) ALDH1A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2016-03-10 US disclosed
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2016-03-10 US disclosed
US-9226930-B2 1,2,4-triazolo [4,3-a] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
US-9226930-B2 1,2,4-triazolo [4,3-a] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2016-01-05 US disclosed
US-20150141403-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2015-05-21 US disclosed
US-20150141403-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2015-05-21 US disclosed
US-8937060-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2015-01-20 US disclosed
US-8937060-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2015-01-20 US disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
US-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ADDEX PHARMA S.A. (CH) 2012-07-19 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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 (5 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-20120184525-A1 1,2,3-TRIAZOLO [4,3-A] PYRIDINE DERIVATIVES AND THIER USE FOR THE TREATMENT OF PREVENTION OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GRM2, GRM3, GRM1 ALDH1A1 1608/4885KDM4E 1960/4885CHRNB2 133/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C ALDH1A1 1997/4885KDM4E 1753/4885CHRNB2 83/4885
US-20160067245-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders GRM2, GRM1, GRIN2C ALDH1A1 1997/4885KDM4E 1753/4885CHRNB2 83/4885
US-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN ALDH1A1 4236/4885KDM4E 557/4885CHRNB2 3714/4885
US-20150141403-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives and Their Use For The Treatment of Prevention of Neurological and Psychiatric Disorders GRM2, GRM1, GRIN2C ALDH1A1 1863/4885KDM4E 1727/4885CHRNB2 97/4885

“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.