SCHEMBL3087287

SCHEMBL3087287

O=C(C1CCC(O)CC1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 2/20 0.57
POLB P06746 2/20 0.57
PKM P14618 1/20 0.55
HTT P42858 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RECQL P46063 1/20 0.53
LMNA P02545 2/20 0.51
ALDH1A1 P00352 5/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRNB3 Q05901 1/20 0.48
CHRNA6 Q15825 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3087285 1.00 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL11158442 0.92 TSHR (0.65) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL2952745 0.84 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL13097124 0.84 RECQL (0.49) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL2952742 0.84 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL13194529 0.84 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL20405434 0.83 ALDH1A1 (0.61) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL12385793 0.82 TSHR (0.60) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL12513454 0.82 SMN1; SMN2 (0.60) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL21140576 0.82 TSHR (0.56) TSHRSMN1; SMN2HPGDPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 EP disclosed
US-8207331-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-7799773-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7704994-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
US-7696193-B2 Benzazepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2010-04-13 US disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 EP disclosed
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK JAMES 2009-04-23 US disclosed
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS BAMFORD MARK J 2007-12-27 US disclosed
US-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders GLAXO GROUP LIMITED (GB) 2006-02-23 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 (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-20060040918-A1 Benzo d!azepine derivatives for the treatment of neurological disorders DRD1, DRD2, DRD3 TSHR 1735/4885SMN1; SMN2 448/4885HPGD 1549/4885
US-20090105226-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, GRIN2A, GRIN2B TSHR 3561/4885SMN1; SMN2 461/4885HPGD 1838/4885
US-20100145040-A1 Benzazepine Derivatives For The Treatment of Neurological Disorders GRIN2C, GRIN2A, GRIN2B TSHR 3561/4885SMN1; SMN2 461/4885HPGD 1838/4885
US-20070299056-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GRIN2C, TPH1, GRIN2B TSHR 1752/4885SMN1; SMN2 599/4885HPGD 2556/4885

“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.