SCHEMBL4980642

SCHEMBL4980642

COc1ccc(OC)c(C(C)CO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.60
ADRA2A P08913 2/20 0.60
CYP2D6 P10635 2/20 0.58
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
KMT2A Q03164 1/20 0.57
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
ABCB11 O95342 1/20 0.56
HTT P42858 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ACHE P22303 1/20 0.49
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL11253139 0.86 ADRA1A (0.57) ADRA1AADRA2ACYP2D6MEN1MAPK1
SCHEMBL11251015 0.84 CYP2D6 (0.59) ADRA1AADRA2ACYP2D6MEN1MAPK1
SCHEMBL11424531 0.82 ADRA1A (0.70) ADRA1AADRA2ACYP2D6MEN1MAPK1
SCHEMBL16737884 0.81 HTR2A (0.40) ADRA1AADRA2ACYP2D6ADRB2ADRB1
SCHEMBL16294121 0.81 GLA (0.42) ADRA1AADRA2AMEN1BLMKMT2A
SCHEMBL1661357 0.81 ADRA1A (0.63) ADRA1AADRA2ACYP2D6MEN1MAPK1
SCHEMBL20868717 0.81 ALDH1A1 (0.44) ADRA1AADRA2AMEN1KMT2AABCB11
SCHEMBL16306959 0.81 GLA (0.42) ADRA1AADRA2AMEN1BLMKMT2A
SCHEMBL17700618 0.81 GLA (0.42) ADRA1AADRA2AMEN1BLMKMT2A
SCHEMBL16737885 0.81 HTR2A (0.40) ADRA1AADRA2ACYP2D6ADRB2ADRB1

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 ADRA1A 15/4885ADRA2A 69/4885CYP2D6 245/4885

“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.