SCHEMBL5350508

SCHEMBL5350508

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(N3CCN(C)CC3)C(C)(C)O4)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SLC18A3 Q16572 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CCR4 P51679 1/20 0.37
HTR7 P34969 3/20 0.37
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
F10 P00742 1/20 0.35
FYN P06241 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL5344095 0.92 ALDH1A1 (0.40) LMNASLC18A3RAB9AHTR7DRD2
SCHEMBL2471607 0.91 ALDH1A1 (0.40) LMNASLC18A3RAB9AHTR7DRD2
SCHEMBL2473351 0.91 AKR1C3 (0.42) LMNASLC18A3RAB9AHTR7DRD2
SCHEMBL5355435 0.91 ALDH1A1 (0.40) LMNASLC18A3RAB9AHTR7DRD2
SCHEMBL5346584 0.89 DRD2 (0.42) SLC18A3HTR7DRD2ALDH1A1GAA
SCHEMBL5351953 0.85 MAPT (0.45) LMNAALDH1A1HSD17B10SIGMAR1MAPT
SCHEMBL2472963 0.85 PTGS1 (0.39) SLC18A3DRD2ALDH1A1HSD17B10MAPT
SCHEMBL5349520 0.85 DRD3 (0.37) LMNARAB9ADRD2GAAMAPT
SCHEMBL656741 0.83 KMT2A (0.39) LMNASLC18A3RAB9AHTR7DRD2
SCHEMBL2469747 0.82 SLC18A3 (0.42) LMNASLC18A3RAB9AHTR7DRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 LMNA 4051/4885SLC18A3 517/4885RAB9A 1388/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 LMNA 3240/4885SLC18A3 1373/4885RAB9A 982/4885

“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.