SCHEMBL1017323

SCHEMBL1017323

COc1ccccc1C1=C(C)N=C2CCN(CC(=O)N3CCN(C(C)C)CC3)C[N+]21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
TERT O14746 1/20 0.35
MEN1 O00255 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALOX15 P16050 1/20 0.34
CCNT1 O60563 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
SCHEMBL1017321 0.73 MAPT (0.39) LMNAGAAALDH1A1KDM4ETDP1
SCHEMBL1018485 0.65 HRH3 (0.67) LMNAGAAALDH1A1KDM4ETDP1
SCHEMBL14420750 0.65 TERT (0.38) LMNAGAAALDH1A1KDM4ETDP1
SCHEMBL1014984 0.62 CD274 (0.47) LMNAGAAALDH1A1KDM4EL3MBTL1
SCHEMBL1014239 0.62 ABCB1 (0.45) ALDH1A1KDM4EL3MBTL1MAPTHRH3
SCHEMBL1018390 0.62 HRH3 (0.47) GAAALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL3771993 0.62 LMNA (0.54) LMNAGAAALDH1A1KDM4ETDP1
SCHEMBL3767764 0.62 LMNA (0.52) LMNAGAAALDH1A1KDM4ETDP1
SCHEMBL3402453 0.62 HTR2C (0.55) LMNAALDH1A1KDM4ETDP1MAPT
SCHEMBL1018751 0.62 HRH3 (0.52) ALDH1A1KDM4EL3MBTL1KMT2AMEN1

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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 LMNA 4138/4885GAA 2016/4885ALDH1A1 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.