SCHEMBL1017321

SCHEMBL1017321

COc1ccccc1-c1c(C)nc2n1CN(CC(=O)N1CCN(C(C)C)CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
CCNT1 O60563 3/20 0.36
CDK9 P50750 3/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1017323 0.73 LMNA (0.37) MAPTALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL14420750 0.69 TERT (0.38) ALDH1A1KDM4ETDP1L3MBTL1LMNA
SCHEMBL1069796 0.69 ELANE (0.37) ALDH1A1KDM4EL3MBTL1HRH3RAB9A
SCHEMBL3402453 0.66 HTR2C (0.55) MAPTALDH1A1KDM4ETDP1LMNA
SCHEMBL1018485 0.66 HRH3 (0.67) MAPTALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL12708145 0.64 HRH3 (0.38) ALDH1A1KDM4EL3MBTL1LMNAHRH3
SCHEMBL1014239 0.63 ABCB1 (0.45) MAPTALDH1A1KDM4EL3MBTL1HRH3
SCHEMBL1014984 0.63 CD274 (0.47) ALDH1A1KDM4EL3MBTL1LMNAHSD17B10
SCHEMBL1018390 0.63 HRH3 (0.47) ALDH1A1KDM4ETDP1L3MBTL1HSD17B10
SCHEMBL1019022 0.62 PRMT5 (0.51) ALDH1A1KDM4EHSD17B10GAAKMT2A

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
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

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 MAPT 979/4885ALDH1A1 1229/4885KDM4E 2634/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 MAPT 979/4885ALDH1A1 1229/4885KDM4E 2634/4885

“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.