SCHEMBL1018485

SCHEMBL1018485

COc1cc2c(cc1OC)CN(CC(=O)N1CCN(C(C)C)CC1)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 5/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
ABCB1 P08183 2/20 0.47
NPC1 O15118 1/20 0.47
ABCC1 P33527 1/20 0.47

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
SCHEMBL1018751 0.87 HRH3 (0.52) HRH3L3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL1018354 0.83 CA9 (0.48) HRH3L3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL1018390 0.83 HRH3 (0.47) HRH3L3MBTL1ALDH1A1NPSR1KMT2A
SCHEMBL1018680 0.83 ABHD6 (0.48) HRH3ALDH1A1NPSR1KMT2AATM
SCHEMBL1020441 0.82 ALDH1A1 (0.50) HRH3L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL1604050 0.82 ALDH1A1 (0.50) HRH3L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL1014239 0.81 ABCB1 (0.45) HRH3L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL1017409 0.81 KMT2A (0.59) L3MBTL1ALDH1A1NPSR1KMT2APOLB
SCHEMBL1017926 0.81 KDM4E (0.56) L3MBTL1ALDH1A1NPSR1KMT2APOLB
SCHEMBL1016559 0.80 ABCB1 (0.45) HRH3L3MBTL1ALDH1A1NPSR1KMT2A

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 12 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
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 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 (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 HRH3 1/4885L3MBTL1 3436/4885ALDH1A1 1229/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 HRH3 1/4885L3MBTL1 3436/4885ALDH1A1 1229/4885

“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.