SCHEMBL15948615

SCHEMBL15948615

CCCCOC1CC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.42
PPP5C P53041 1/20 0.37
TSHR P16473 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ATM Q13315 1/20 0.31

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
SCHEMBL17342220 1.00 GBA1 (0.42) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL16769690 1.00 GBA1 (0.42) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL6852788 0.98 GBA1 (0.41) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL11943576 0.86 GBA1 (0.42) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL17384324 0.85 GBA1 (0.38) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL17384323 0.85 GBA1 (0.38) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL8970189 0.85 GBA1 (0.38) GBA1PPP5CTSHREPHX2ALDH1A1
SCHEMBL14153818 0.83 GBA1 (0.44) GBA1PPP5C
SCHEMBL10076752 0.82 CNR2 (0.36) GBA1PPP5CTSHREPHX2
SCHEMBL10076832 0.80 GBA1 (0.41) GBA1PPP5CTSHREPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-05-25 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed
US-9809588-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-07 US disclosed
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-10-12 US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 US disclosed
US-20160256448-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 US disclosed
US-20160257692-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 US disclosed
US-9388161-B2 Tetrahydroquinoline compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2016-07-12 US disclosed
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-14 US disclosed
US-20150232445-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2015-08-20 US disclosed
WO-2015077866-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-06-04 WO disclosed
WO-2015074064-A2 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 WO disclosed
WO-2014124430-A1 NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-08-14 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 (8 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-20160256448-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 GBA1 3488/4885PPP5C 2484/4885TSHR 1323/4885
US-20230157999-A1 PYRANO[4,3-B]INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 GBA1 1909/4885PPP5C 1046/4885TSHR 1834/4885
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 GBA1 12/4885PPP5C 2131/4885TSHR 3567/4885
US-20150232445-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 GBA1 3488/4885PPP5C 2484/4885TSHR 1323/4885
US-20170158697-A1 Protein Kinase Inhibitors TEC, LCK, SRC GBA1 3753/4885PPP5C 211/4885TSHR 3176/4885
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 GBA1 12/4885PPP5C 2131/4885TSHR 3567/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 GBA1 319/4885PPP5C 1994/4885TSHR 2764/4885
US-20160257692-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 GBA1 3488/4885PPP5C 2484/4885TSHR 1323/4885

“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.