SCHEMBL1014734

SCHEMBL1014734

O=C(CN1CCc2nc(-c3ccc(OC(F)(F)F)cc3)sc2C1)N1CCN(C2CCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ENPP2 Q13822 2/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 2/20 0.38
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
DPP9 Q86TI2 2/20 0.38
S1PR5 Q9H228 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36

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
SCHEMBL1014522 0.90 ENPP2 (0.43) RAB9ANPC1ENPP2KDM4ETLR9
SCHEMBL1017219 0.89 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1602971 0.89 DPP4 (0.47) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1014819 0.88 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1017927 0.88 DPP4 (0.47) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1603788 0.87 NPC1 (0.45) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1603677 0.87 RAB9A (0.47) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1017049 0.87 RAB9A (0.48) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL1603700 0.86 RAB9A (0.46) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL12953419 0.86 RAB9A (0.44) RAB9ANPC1ALDH1A1GAAMAPT

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
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 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 (2 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 RAB9A 1371/4885NPC1 1202/4885ENPP2 833/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 RAB9A 1371/4885NPC1 1202/4885ENPP2 833/4885

“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.