SCHEMBL1018036

SCHEMBL1018036

COc1ccc(Cl)cc1-c1ccc2c(c1)CCN(CC(=O)N1CCN(C3CCCCC3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TACR1 P25103 1/20 0.42
THRB P10828 1/20 0.42
MCHR1 Q99705 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
HSD17B3 P37058 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL1015192 0.97 POLB (0.45) POLBPRMT5WDR77ALDH1A1KMT2A
SCHEMBL1018478 0.91 RAB9A (0.44) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL1018402 0.91 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL1018109 0.90 RAB9A (0.43) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL1018689 0.90 RAB9A (0.46) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL1017924 0.90 ALDH1A1 (0.45) PRMT5WDR77ALDH1A1KMT2AKDM4E
SCHEMBL1015165 0.89 CCNT1 (0.44) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL1017195 0.89 CD274 (0.44) POLBPRMT5WDR77ALDH1A1KMT2A
SCHEMBL1018480 0.89 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL1016982 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1SMN1; 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-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US claimed
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
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 POLB 3403/4885PRMT5 821/4885WDR77 1697/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 POLB 3403/4885PRMT5 821/4885WDR77 1697/4885

“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.