SCHEMBL4983055

SCHEMBL4983055

COc1cccc(CC#N)c1CC1COC(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.35
HTR1A P08908 8/20 0.35
ADRA1A P35348 8/20 0.35
ADRA1B P35368 8/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPK14 Q16539 2/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL4982940 0.84 ADRA1D (0.36) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL4983803 0.81 TMEM97 (0.40) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL14188913 0.81 HTR1A (0.38) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL4982169 0.81 ADRA1D (0.41) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL4985067 0.79 ADRA1D (0.38) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL14215920 0.79 ADRA1D (0.40) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL14188892 0.79 CA2 (0.39) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL4983809 0.79 HTR1A (0.36) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL7510228 0.79 HTR1A (0.46) ADRA1DHTR1AADRA1AADRA1BHCRTR1
SCHEMBL7510227 0.79 HTR1A (0.46) ADRA1DHTR1AADRA1AADRA1BHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 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 (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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B ADRA1D 18/4885HTR1A 4/4885ADRA1A 15/4885

“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.