SCHEMBL1018185

SCHEMBL1018185

COc1cc2c(cc1OC)CN(CC(=O)N1CCN(C3CCCCC3)CC1)CC2

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 3/20 0.60
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
RAB9A P51151 2/20 0.48
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1017409 0.99 KMT2A (0.59) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1017926 0.97 KDM4E (0.56) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1017709 0.88 TSHR (0.50) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1017678 0.87 TSHR (0.49) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1017687 0.85 HSD17B10 (0.47) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1017924 0.85 ALDH1A1 (0.45) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1020164 0.85 KMT2A (0.45) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1017896 0.85 CA9 (0.46) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1017325 0.84 NAAA (0.47) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2
SCHEMBL1017324 0.83 TSHR (0.44) KMT2AALDH1A1MEN1KDM4ESMN1; SMN2

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 KMT2A 566/4885ALDH1A1 1229/4885MEN1 2317/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 KMT2A 566/4885ALDH1A1 1229/4885MEN1 2317/4885

“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.